3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine

C17H27N — CID 115794885

IUPAC3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccccc1C
InChIInChI=1S/C17H27N/c1-3-18-17(13-12-15-9-5-6-10-15)16-11-7-4-8-14(16)2/h4,7-8,11,15,17-18H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyWWTHECZRLPGXAU-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.62
Rot. Bonds6

About 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine

3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 115794885) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
PubChem CID115794885
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccccc1C
InChIInChI=1S/C17H27N/c1-3-18-17(13-12-15-9-5-6-10-15)16-11-7-4-8-14(16)2/h4,7-8,11,15,17-18H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyWWTHECZRLPGXAU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-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

3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
[3-cyclohexyl-1-(2-methylphenyl)propyl]hydrazine
CID 105286051
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64674888
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine (CID 115794885) is 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine is CCNC(CCC1CCCC1)c1ccccc1C.
What is the InChIKey of 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is WWTHECZRLPGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-18-17(13-12-15-9-5-6-10-15)16-11-7-4-8-14(16)2/h4,7-8,11,15,17-18H,3,5-6,9-10,12-13H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine?
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 115794885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).