3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline

C13H19NO — CID 96923143

IUPAC3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
SMILESCOc1cccc(N[C@H]2CCC[C@@H]2C)c1
InChIInChI=1S/C13H19NO/c1-10-5-3-8-13(10)14-11-6-4-7-12(9-11)15-2/h4,6-7,9-10,13-14H,3,5,8H2,1-2H3/t10-,13-/m0/s1
InChIKeyXOBRSMGBYOAAMJ-GWCFXTLKSA-N
MW205.30 g/mol
LogP3.30
Rot. Bonds3

About 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline

3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline (PubChem CID 96923143) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
PubChem CID96923143
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
SMILESCOc1cccc(N[C@H]2CCC[C@@H]2C)c1
InChIInChI=1S/C13H19NO/c1-10-5-3-8-13(10)14-11-6-4-7-12(9-11)15-2/h4,6-7,9-10,13-14H,3,5,8H2,1-2H3/t10-,13-/m0/s1
InChIKeyXOBRSMGBYOAAMJ-GWCFXTLKSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 80735658
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxyphenyl)thiourea
CID 11930350
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline
CID 64761419
N-(2-methylcyclohexyl)-3-methylsulfanylaniline
CID 43105027
N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111
N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
CID 63278373

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline?
The IUPAC name of 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline (CID 96923143) is 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline?
The canonical SMILES for 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline is COc1cccc(N[C@H]2CCC[C@@H]2C)c1.
What is the InChIKey of 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline?
The InChIKey is XOBRSMGBYOAAMJ-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-3-8-13(10)14-11-6-4-7-12(9-11)15-2/h4,6-7,9-10,13-14H,3,5,8H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline?
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline has a molecular weight of 205.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline is sourced from PubChem (CID 96923143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).