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

C19H31N — CID 63450221

IUPAC1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCCC2CCCC2)cc1
InChIInChI=1S/C19H31N/c1-3-4-7-18-10-12-19(13-11-18)16(2)20-15-14-17-8-5-6-9-17/h10-13,16-17,20H,3-9,14-15H2,1-2H3
InChIKeyNCUYKVSBIARPFN-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.26
Rot. Bonds8

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

1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine (PubChem CID 63450221) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
PubChem CID63450221
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCCC2CCCC2)cc1
InChIInChI=1S/C19H31N/c1-3-4-7-18-10-12-19(13-11-18)16(2)20-15-14-17-8-5-6-9-17/h10-13,16-17,20H,3-9,14-15H2,1-2H3
InChIKeyNCUYKVSBIARPFN-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
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
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
CID 63431518
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine (CID 63450221) is 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine is CCCCc1ccc(C(C)NCCC2CCCC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine?
The InChIKey is NCUYKVSBIARPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-4-7-18-10-12-19(13-11-18)16(2)20-15-14-17-8-5-6-9-17/h10-13,16-17,20H,3-9,14-15H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine?
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine is sourced from PubChem (CID 63450221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).