2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine

C16H25N — CID 79022519

IUPAC2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)C2CCCC2)cc1
InChIInChI=1S/C16H25N/c1-12(2)13-7-9-15(10-8-13)16(11-17)14-5-3-4-6-14/h7-10,12,14,16H,3-6,11,17H2,1-2H3
InChIKeyPCCJZTRQURVTPS-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.04
Rot. Bonds4

About 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine

2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 79022519) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID79022519
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)C2CCCC2)cc1
InChIInChI=1S/C16H25N/c1-12(2)13-7-9-15(10-8-13)16(11-17)14-5-3-4-6-14/h7-10,12,14,16H,3-6,11,17H2,1-2H3
InChIKeyPCCJZTRQURVTPS-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
2-[4-(1-cyclopentylethyl)phenyl]ethanamine
CID 115030340
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
CID 112516776
tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine (CID 79022519) is 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(CN)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is PCCJZTRQURVTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)13-7-9-15(10-8-13)16(11-17)14-5-3-4-6-14/h7-10,12,14,16H,3-6,11,17H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine?
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 79022519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).