2-(4-cyclobutylphenyl)-N-methylethanamine

C13H19N — CID 83829400

IUPAC2-(4-cyclobutylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19N/c1-14-10-9-11-5-7-13(8-6-11)12-3-2-4-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyMMUSEGBKQTUXOI-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-cyclobutylphenyl)-N-methylethanamine

2-(4-cyclobutylphenyl)-N-methylethanamine (PubChem CID 83829400) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-N-methylethanamine
PubChem CID83829400
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(4-cyclobutylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19N/c1-14-10-9-11-5-7-13(8-6-11)12-3-2-4-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyMMUSEGBKQTUXOI-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-cyclobutylphenyl)-N-methylpropan-1-amine
CID 116506759
N-methyl-2-[4-(thian-4-yl)phenyl]ethanamine
CID 115006067
5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine
CID 65303999
2-(4-cyclohexylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261089
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
1-(chloromethyl)-4-cyclobutylbenzene
CID 57236902
5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
CID 65300733
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-cyclobutylphenyl)-N-methylethanamine (CID 83829400) is 2-(4-cyclobutylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-cyclobutylphenyl)-N-methylethanamine is CNCCc1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-N-methylethanamine?
The InChIKey is MMUSEGBKQTUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14-10-9-11-5-7-13(8-6-11)12-3-2-4-12/h5-8,12,14H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-cyclobutylphenyl)-N-methylethanamine?
2-(4-cyclobutylphenyl)-N-methylethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-N-methylethanamine is sourced from PubChem (CID 83829400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).