(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine

C14H22N2O — CID 139630399

IUPAC(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN[C@H](CN1CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O/c1-15-14(11-16-9-3-4-10-16)12-5-7-13(17-2)8-6-12/h5-8,14-15H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyCNGOATIORCBXNR-CQSZACIVSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds5

About (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine

(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 139630399) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID139630399
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN[C@H](CN1CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O/c1-15-14(11-16-9-3-4-10-16)12-5-7-13(17-2)8-6-12/h5-8,14-15H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyCNGOATIORCBXNR-CQSZACIVSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66393253
(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol
CID 139630400
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725857
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide
CID 75499965
2-fluoro-6-[[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]benzonitrile
CID 97262113

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine (CID 139630399) is (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine is CN[C@H](CN1CCCC1)c1ccc(OC)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is CNGOATIORCBXNR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-14(11-16-9-3-4-10-16)12-5-7-13(17-2)8-6-12/h5-8,14-15H,3-4,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 139630399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).