N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine

C17H27N — CID 63450481

IUPACN-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCCC2CCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-15-8-10-17(11-9-15)14(2)18-13-12-16-6-4-5-7-16/h8-11,14,16,18H,3-7,12-13H2,1-2H3
InChIKeyXGVKPESXTJTVJE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.48
Rot. Bonds6

About N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine

N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 63450481) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
PubChem CID63450481
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCCC2CCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-15-8-10-17(11-9-15)14(2)18-13-12-16-6-4-5-7-16/h8-11,14,16,18H,3-7,12-13H2,1-2H3
InChIKeyXGVKPESXTJTVJE-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
CID 63448536
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine (CID 63450481) is N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCCC2CCCC2)cc1.
What is the InChIKey of N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is XGVKPESXTJTVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-15-8-10-17(11-9-15)14(2)18-13-12-16-6-4-5-7-16/h8-11,14,16,18H,3-7,12-13H2,1-2H3.
What are the key properties of N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine?
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 63450481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).