2-(3-cyclobutyl-2-methylphenyl)ethanamine

C13H19N — CID 142992791

IUPAC2-(3-cyclobutyl-2-methylphenyl)ethanamine
SMILESCc1c(CCN)cccc1C1CCC1
InChIInChI=1S/C13H19N/c1-10-11(8-9-14)4-3-7-13(10)12-5-2-6-12/h3-4,7,12H,2,5-6,8-9,14H2,1H3
InChIKeyLAUAYRVHEJJBKR-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-cyclobutyl-2-methylphenyl)ethanamine

2-(3-cyclobutyl-2-methylphenyl)ethanamine (PubChem CID 142992791) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(3-cyclobutyl-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclobutyl-2-methylphenyl)ethanamine
PubChem CID142992791
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(3-cyclobutyl-2-methylphenyl)ethanamine
SMILESCc1c(CCN)cccc1C1CCC1
InChIInChI=1S/C13H19N/c1-10-11(8-9-14)4-3-7-13(10)12-5-2-6-12/h3-4,7,12H,2,5-6,8-9,14H2,1H3
InChIKeyLAUAYRVHEJJBKR-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-cycloheptylphenyl)ethanamine
CID 83836329
4-(3-butyl-2-methylphenyl)piperidine
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CID 174472217
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
2-butyl-6-cyclobutylaniline
CID 172550525
(2,3-dimethylphenyl)cyclodecane
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3-(2-cyclobutylphenyl)-2-methylpropan-1-amine
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2,6-di(cyclobutyl)aniline
CID 172550384
1-(2-bromoethyl)-2-cyclobutylbenzene
CID 114605787
3-cyclohexyl-2-methylbenzaldehyde
CID 15107628
O-[(2-cyclobutylphenyl)methyl]hydroxylamine
CID 117277584
2-[2-(thiolan-3-yl)phenyl]ethanamine
CID 84779898

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-cyclobutyl-2-methylphenyl)ethanamine (CID 142992791) is 2-(3-cyclobutyl-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-cyclobutyl-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-cyclobutyl-2-methylphenyl)ethanamine is Cc1c(CCN)cccc1C1CCC1.
What is the InChIKey of 2-(3-cyclobutyl-2-methylphenyl)ethanamine?
The InChIKey is LAUAYRVHEJJBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-11(8-9-14)4-3-7-13(10)12-5-2-6-12/h3-4,7,12H,2,5-6,8-9,14H2,1H3.
What are the key properties of 2-(3-cyclobutyl-2-methylphenyl)ethanamine?
2-(3-cyclobutyl-2-methylphenyl)ethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-2-methylphenyl)ethanamine is sourced from PubChem (CID 142992791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).