1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

C16H26Cl2N2O — CID 120904450

IUPAC1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCOCC(c1ccc(Cl)cc1)N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-16(8-9-18-11-16)12-19(2)15(10-20-3)13-4-6-14(17)7-5-13;/h4-7,15,18H,8-12H2,1-3H3;1H
InChIKeyRZSLNFUQZURXII-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.38
Rot. Bonds6

About 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 120904450) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
PubChem CID120904450
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCOCC(c1ccc(Cl)cc1)N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-16(8-9-18-11-16)12-19(2)15(10-20-3)13-4-6-14(17)7-5-13;/h4-7,15,18H,8-12H2,1-3H3;1H
InChIKeyRZSLNFUQZURXII-UHFFFAOYSA-N
XLogP3.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120900789
2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 120897491
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63143278
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 129359313
N-methyl-1-(3-methylpyrrolidin-3-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine;hydrochloride
CID 120904384
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120898515
methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate
CID 120903346
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (CID 120904450) is 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is COCC(c1ccc(Cl)cc1)N(C)CC1(C)CCNC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is RZSLNFUQZURXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O.ClH/c1-16(8-9-18-11-16)12-19(2)15(10-20-3)13-4-6-14(17)7-5-13;/h4-7,15,18H,8-12H2,1-3H3;1H.
What are the key properties of 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120904450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).