2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride

C19H26ClNO — CID 117071490

IUPAC2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCc1cccc(C)c1C(OCCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-15-9-8-10-16(2)18(15)19(21-14-13-20(3)4)17-11-6-5-7-12-17;/h5-12,19H,13-14H2,1-4H3;1H
InChIKeyWMFFFSLCHCLTKA-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.39
Rot. Bonds6

About 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride

2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride (PubChem CID 117071490) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
PubChem CID117071490
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCc1cccc(C)c1C(OCCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-15-9-8-10-16(2)18(15)19(21-14-13-20(3)4)17-11-6-5-7-12-17;/h5-12,19H,13-14H2,1-4H3;1H
InChIKeyWMFFFSLCHCLTKA-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine
CID 11687687
2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
CID 67474795

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride (CID 117071490) is 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride is Cc1cccc(C)c1C(OCCN(C)C)c1ccccc1.Cl.
What is the InChIKey of 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is WMFFFSLCHCLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-15-9-8-10-16(2)18(15)19(21-14-13-20(3)4)17-11-6-5-7-12-17;/h5-12,19H,13-14H2,1-4H3;1H.
What are the key properties of 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 117071490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).