2-(4-cyclobutylphenyl)propan-1-amine

C13H19N — CID 116507054

IUPAC2-(4-cyclobutylphenyl)propan-1-amine
SMILESCC(CN)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19N/c1-10(9-14)11-5-7-13(8-6-11)12-3-2-4-12/h5-8,10,12H,2-4,9,14H2,1H3
InChIKeyMACDYQVETUQPNZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.02
Rot. Bonds3

About 2-(4-cyclobutylphenyl)propan-1-amine

2-(4-cyclobutylphenyl)propan-1-amine (PubChem CID 116507054) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)propan-1-amine
PubChem CID116507054
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(4-cyclobutylphenyl)propan-1-amine
SMILESCC(CN)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19N/c1-10(9-14)11-5-7-13(8-6-11)12-3-2-4-12/h5-8,10,12H,2-4,9,14H2,1H3
InChIKeyMACDYQVETUQPNZ-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
CID 116934155
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
CID 23566418
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
CID 116506443
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
CID 105346608
3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 116924713
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)propan-1-amine?
The IUPAC name of 2-(4-cyclobutylphenyl)propan-1-amine (CID 116507054) is 2-(4-cyclobutylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-cyclobutylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-cyclobutylphenyl)propan-1-amine is CC(CN)c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)propan-1-amine?
The InChIKey is MACDYQVETUQPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(9-14)11-5-7-13(8-6-11)12-3-2-4-12/h5-8,10,12H,2-4,9,14H2,1H3.
What are the key properties of 2-(4-cyclobutylphenyl)propan-1-amine?
2-(4-cyclobutylphenyl)propan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)propan-1-amine is sourced from PubChem (CID 116507054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).