(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C14H22N2O — CID 106638935

IUPAC(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOc1cccc([C@H](C)NCC2CCCN2)c1
InChIInChI=1S/C14H22N2O/c1-11(16-10-13-6-4-8-15-13)12-5-3-7-14(9-12)17-2/h3,5,7,9,11,13,15-16H,4,6,8,10H2,1-2H3/t11-,13?/m0/s1
InChIKeyXZEZFHMQUPZTFO-AMGKYWFPSA-N
MW234.34 g/mol
LogP2.10
Rot. Bonds5

About (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106638935) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106638935
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOc1cccc([C@H](C)NCC2CCCN2)c1
InChIInChI=1S/C14H22N2O/c1-11(16-10-13-6-4-8-15-13)12-5-3-7-14(9-12)17-2/h3,5,7,9,11,13,15-16H,4,6,8,10H2,1-2H3/t11-,13?/m0/s1
InChIKeyXZEZFHMQUPZTFO-AMGKYWFPSA-N
XLogP2.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
CID 106636742
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603171
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106632816
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106638935) is (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is COc1cccc([C@H](C)NCC2CCCN2)c1.
What is the InChIKey of (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is XZEZFHMQUPZTFO-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(16-10-13-6-4-8-15-13)12-5-3-7-14(9-12)17-2/h3,5,7,9,11,13,15-16H,4,6,8,10H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106638935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).