[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine

C17H26N2O — CID 81298987

IUPAC[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(N2CCCC2C2CCCC2)c1
InChIInChI=1S/C17H26N2O/c1-20-15-9-8-14(12-18)17(11-15)19-10-4-7-16(19)13-5-2-3-6-13/h8-9,11,13,16H,2-7,10,12,18H2,1H3
InChIKeyDAOGTCOMSLGGHM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.31
Rot. Bonds4

About [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine

[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine (PubChem CID 81298987) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
PubChem CID81298987
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(N2CCCC2C2CCCC2)c1
InChIInChI=1S/C17H26N2O/c1-20-15-9-8-14(12-18)17(11-15)19-10-4-7-16(19)13-5-2-3-6-13/h8-9,11,13,16H,2-7,10,12,18H2,1H3
InChIKeyDAOGTCOMSLGGHM-UHFFFAOYSA-N
XLogP3.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxyphenyl]methanamine
CID 81299524
[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 81296520
1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
CID 81299079
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methoxybenzenecarbothioamide
CID 81305590
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromophenyl]methanamine
CID 102725431
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-methoxyphenyl]methanamine
CID 81299811
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
CID 55025133
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81247229
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-methoxyaniline
CID 82750106

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine (CID 81298987) is [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(N2CCCC2C2CCCC2)c1.
What is the InChIKey of [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine?
The InChIKey is DAOGTCOMSLGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-15-9-8-14(12-18)17(11-15)19-10-4-7-16(19)13-5-2-3-6-13/h8-9,11,13,16H,2-7,10,12,18H2,1H3.
What are the key properties of [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine?
[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81298987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).