2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride

C91H116Cl3N7O5 — CID 159426604

IUPAC2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride
SMILESC.CN(C)CCOC(C)(c1ccccc1)c1ccccn1.CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.CN(C)CCOC(c1ccccc1)c1ccccc1.CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H26ClNO.C19H23NO.C17H22N2O.C17H21NO.C16H19ClN2O.CH4.ClH/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;;/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;2-11,18-19H,12-15H2,1H3;4-12H,13-14H2,1-3H3;3-12,17H,13-14H2,1-2H3;3-10,16H,11-12H2,1-2H3;1H4;1H/t20-,21-;;;;;;/m1....../s1
InChIKeyCHFBAKWZXQNEPR-LGPFPQHZSA-N
MW1494.33 g/mol
LogP19.73
Rot. Bonds28

About 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride

2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride (PubChem CID 159426604) has the molecular formula C91H116Cl3N7O5 and a molecular weight of 1494.33 g/mol. Its IUPAC name is 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride.

Molecular Properties

Compound Name2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride
PubChem CID159426604
Molecular FormulaC91H116Cl3N7O5
Molecular Weight1494.33 g/mol
Exact Mass1491.81
IUPAC Name2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride
SMILESC.CN(C)CCOC(C)(c1ccccc1)c1ccccn1.CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.CN(C)CCOC(c1ccccc1)c1ccccc1.CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H26ClNO.C19H23NO.C17H22N2O.C17H21NO.C16H19ClN2O.CH4.ClH/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;;/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;2-11,18-19H,12-15H2,1H3;4-12H,13-14H2,1-3H3;3-12,17H,13-14H2,1-2H3;3-10,16H,11-12H2,1-2H3;1H4;1H/t20-,21-;;;;;;/m1....../s1
InChIKeyCHFBAKWZXQNEPR-LGPFPQHZSA-N
XLogP19.73
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.33
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride with MolForge

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Related Compounds

Carbinoxamine
CID 2564
(S)-Carbinoxamine
CID 170336
1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402299
1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol
CID 57400494
(R)-carbinoxamine
CID 667500
US12325701, Example 138.
CID 168679085
Carbinoxamine hydrochloride
CID 18913831
1-(4-chloropyridin-2-yl)-1'-[1-[5-(trifluoromethyl)pyridin-2-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 117913552
5-Chloro-2-[(3-iodophenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;2-[(2-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-4-(trifluoromethyl)pyridine
CID 160724496
Bepotastine calcium dihydrate
CID 24997095
Carbinoxamine, 4,4'-diphenyldisulfonate
CID 71586810
1-[4-[(E)-1-(4-chloro-2-pyridinyl)-2-methylbut-2-enoxy]-1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylethanimine
CID 144272185

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride?
The IUPAC name of 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride (CID 159426604) is 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride.
What is the SMILES notation for 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride?
The canonical SMILES for 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride is C.CN(C)CCOC(C)(c1ccccc1)c1ccccn1.CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.CN(C)CCOC(c1ccccc1)c1ccccc1.CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride?
The InChIKey is CHFBAKWZXQNEPR-LGPFPQHZSA-N. The full InChI is InChI=1S/C21H26ClNO.C19H23NO.C17H22N2O.C17H21NO.C16H19ClN2O.CH4.ClH/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;;/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;2-11,18-19H,12-15H2,1H3;4-12H,13-14H2,1-3H3;3-12,17H,13-14H2,1-2H3;3-10,16H,11-12H2,1-2H3;1H4;1H/t20-,21-;;;;;;/m1....../s1.
What are the key properties of 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride?
2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride has a molecular weight of 1494.33 g/mol, XLogP of 19.73, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N,N-dimethylethanamine;4-benzhydryloxy-1-methylpiperidine;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;methane;hydrochloride is sourced from PubChem (CID 159426604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).