[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C20H27ClN2O — CID 120780442

IUPAC[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-20(14-21)10-11-22(15-20)13-18-9-8-17(12-19(18)23-2)16-6-4-3-5-7-16;/h3-9,12H,10-11,13-15,21H2,1-2H3;1H
InChIKeyJATCRWUUVZTHGE-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.95
Rot. Bonds5

About [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780442) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780442
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-20(14-21)10-11-22(15-20)13-18-9-8-17(12-19(18)23-2)16-6-4-3-5-7-16;/h3-9,12H,10-11,13-15,21H2,1-2H3;1H
InChIKeyJATCRWUUVZTHGE-UHFFFAOYSA-N
XLogP3.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
(3S,4R)-3,4-dihydroxy-1-[(2-methoxy-4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166314997
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-4-bromo-2-methoxyphenol
CID 120780657
[1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773894
[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773905
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780442) is [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is COc1cc(-c2ccccc2)ccc1CN1CCC(C)(CN)C1.Cl.
What is the InChIKey of [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is JATCRWUUVZTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-20(14-21)10-11-22(15-20)13-18-9-8-17(12-19(18)23-2)16-6-4-3-5-7-16;/h3-9,12H,10-11,13-15,21H2,1-2H3;1H.
What are the key properties of [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).