2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine

C15H23NO — CID 115691352

IUPAC2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCc1cccc(OC)c1
InChIInChI=1S/C15H23NO/c1-3-13-7-5-9-15(13)16-11-12-6-4-8-14(10-12)17-2/h4,6,8,10,13,15-16H,3,5,7,9,11H2,1-2H3
InChIKeyBVZRGXCBCJATBU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.36
Rot. Bonds5

About 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine

2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 115691352) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID115691352
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCc1cccc(OC)c1
InChIInChI=1S/C15H23NO/c1-3-13-7-5-9-15(13)16-11-12-6-4-8-14(10-12)17-2/h4,6,8,10,13,15-16H,3,5,7,9,11H2,1-2H3
InChIKeyBVZRGXCBCJATBU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclopentan-1-amine
CID 113260129
3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
CID 122031906
N'-(2-ethylcyclopentyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 115704698
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544582
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734304
N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 79577305

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine (CID 115691352) is 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine is CCC1CCCC1NCc1cccc(OC)c1.
What is the InChIKey of 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is BVZRGXCBCJATBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13-7-5-9-15(13)16-11-12-6-4-8-14(10-12)17-2/h4,6,8,10,13,15-16H,3,5,7,9,11H2,1-2H3.
What are the key properties of 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 115691352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).