(2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C18H28N2O — CID 79059206

IUPAC(2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H28N2O/c1-14-7-8-16(21-2)15(13-14)17(19)18(9-3-4-10-18)20-11-5-6-12-20/h7-8,13,17H,3-6,9-12,19H2,1-2H3
InChIKeyQDKHLJRTBKJUAC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.41
Rot. Bonds4

About (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

(2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79059206) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79059206
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H28N2O/c1-14-7-8-16(21-2)15(13-14)17(19)18(9-3-4-10-18)20-11-5-6-12-20/h7-8,13,17H,3-6,9-12,19H2,1-2H3
InChIKeyQDKHLJRTBKJUAC-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-5-methylphenyl)-(1-methylcyclohexyl)methanamine
CID 106826973
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
[(1-methoxycyclopentyl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105268692
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65391223
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304050
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79059206) is (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is COc1ccc(C)cc1C(N)C1(N2CCCC2)CCCC1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is QDKHLJRTBKJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-7-8-16(21-2)15(13-14)17(19)18(9-3-4-10-18)20-11-5-6-12-20/h7-8,13,17H,3-6,9-12,19H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
(2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 288.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79059206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).