2-cyclobutyl-2-(4-methylphenyl)ethanamine

C13H19N — CID 55269565

IUPAC2-cyclobutyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)C2CCC2)cc1
InChIInChI=1S/C13H19N/c1-10-5-7-12(8-6-10)13(9-14)11-3-2-4-11/h5-8,11,13H,2-4,9,14H2,1H3
InChIKeySERPYILNZAEBIW-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.84
Rot. Bonds3

About 2-cyclobutyl-2-(4-methylphenyl)ethanamine

2-cyclobutyl-2-(4-methylphenyl)ethanamine (PubChem CID 55269565) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-cyclobutyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-2-(4-methylphenyl)ethanamine
PubChem CID55269565
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-cyclobutyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)C2CCC2)cc1
InChIInChI=1S/C13H19N/c1-10-5-7-12(8-6-10)13(9-14)11-3-2-4-11/h5-8,11,13H,2-4,9,14H2,1H3
InChIKeySERPYILNZAEBIW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 45358024
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-2-(4-methylphenyl)ethanamine (CID 55269565) is 2-cyclobutyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-2-(4-methylphenyl)ethanamine is Cc1ccc(C(CN)C2CCC2)cc1.
What is the InChIKey of 2-cyclobutyl-2-(4-methylphenyl)ethanamine?
The InChIKey is SERPYILNZAEBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-7-12(8-6-10)13(9-14)11-3-2-4-11/h5-8,11,13H,2-4,9,14H2,1H3.
What are the key properties of 2-cyclobutyl-2-(4-methylphenyl)ethanamine?
2-cyclobutyl-2-(4-methylphenyl)ethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 55269565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).