2-(3-cyclobutylphenyl)ethanamine

C12H17N — CID 83827556

IUPAC2-(3-cyclobutylphenyl)ethanamine
SMILESNCCc1cccc(C2CCC2)c1
InChIInChI=1S/C12H17N/c13-8-7-10-3-1-6-12(9-10)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8,13H2
InChIKeyXLHZZQCNWMXPFW-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.46
Rot. Bonds3

About 2-(3-cyclobutylphenyl)ethanamine

2-(3-cyclobutylphenyl)ethanamine (PubChem CID 83827556) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)ethanamine
PubChem CID83827556
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(3-cyclobutylphenyl)ethanamine
SMILESNCCc1cccc(C2CCC2)c1
InChIInChI=1S/C12H17N/c13-8-7-10-3-1-6-12(9-10)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8,13H2
InChIKeyXLHZZQCNWMXPFW-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-cyclopropylphenyl)ethanamine
CID 79983898
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
2-[3-(thietan-3-yl)phenyl]ethanamine
CID 83830582
3-(3-cycloheptylphenyl)propanal
CID 117332990
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
[3-(4-ethylcycloheptyl)phenyl]methanamine
CID 123307972
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
(3-cyclohexylphenyl)methanethiol
CID 22000684
(3-cycloheptylphenyl)methanol
CID 84672634
3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 114606285

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)ethanamine?
The IUPAC name of 2-(3-cyclobutylphenyl)ethanamine (CID 83827556) is 2-(3-cyclobutylphenyl)ethanamine.
What is the SMILES notation for 2-(3-cyclobutylphenyl)ethanamine?
The canonical SMILES for 2-(3-cyclobutylphenyl)ethanamine is NCCc1cccc(C2CCC2)c1.
What is the InChIKey of 2-(3-cyclobutylphenyl)ethanamine?
The InChIKey is XLHZZQCNWMXPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-8-7-10-3-1-6-12(9-10)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8,13H2.
What are the key properties of 2-(3-cyclobutylphenyl)ethanamine?
2-(3-cyclobutylphenyl)ethanamine has a molecular weight of 175.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylphenyl)ethanamine is sourced from PubChem (CID 83827556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).