N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine

C16H25NO — CID 64500026

IUPACN-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCCOc1ccc(C(C)NC2CCC(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-18-16-9-6-14(7-10-16)13(3)17-15-8-5-12(2)11-15/h6-7,9-10,12-13,15,17H,4-5,8,11H2,1-3H3
InChIKeyUJJMCHSIABBAHW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 64500026) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
PubChem CID64500026
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCCOc1ccc(C(C)NC2CCC(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-18-16-9-6-14(7-10-16)13(3)17-15-8-5-12(2)11-15/h6-7,9-10,12-13,15,17H,4-5,8,11H2,1-3H3
InChIKeyUJJMCHSIABBAHW-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine 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

N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43775452
[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine (CID 64500026) is N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine is CCOc1ccc(C(C)NC2CCC(C)C2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is UJJMCHSIABBAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-16-9-6-14(7-10-16)13(3)17-15-8-5-12(2)11-15/h6-7,9-10,12-13,15,17H,4-5,8,11H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64500026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).