1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine

C16H25NO — CID 63822889

IUPAC1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCCOc1ccc(CNCC2(C)CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-18-15-8-6-14(7-9-15)12-17-13-16(2)10-4-5-11-16/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyNXLJQFQACHAQHK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine

1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 63822889) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID63822889
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCCOc1ccc(CNCC2(C)CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-18-15-8-6-14(7-9-15)12-17-13-16(2)10-4-5-11-16/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyNXLJQFQACHAQHK-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine 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

1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266974
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903167
N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912486
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid
CID 114108521
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (CID 63822889) is 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is CCOc1ccc(CNCC2(C)CCCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is NXLJQFQACHAQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-18-15-8-6-14(7-9-15)12-17-13-16(2)10-4-5-11-16/h6-9,17H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 63822889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).