N-[cyclobutyl(phenyl)methyl]ethanamine

C13H19N — CID 43489136

IUPACN-[cyclobutyl(phenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1)C1CCC1
InChIInChI=1S/C13H19N/c1-2-14-13(12-9-6-10-12)11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3
InChIKeySQCDDUMHMPCHIH-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.14
Rot. Bonds4

About N-[cyclobutyl(phenyl)methyl]ethanamine

N-[cyclobutyl(phenyl)methyl]ethanamine (PubChem CID 43489136) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[cyclobutyl(phenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl(phenyl)methyl]ethanamine
PubChem CID43489136
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[cyclobutyl(phenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1)C1CCC1
InChIInChI=1S/C13H19N/c1-2-14-13(12-9-6-10-12)11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3
InChIKeySQCDDUMHMPCHIH-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
CID 112681259
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
CID 105049307
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane
CID 171097814
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
CID 105027846
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(phenyl)methyl]ethanamine?
The IUPAC name of N-[cyclobutyl(phenyl)methyl]ethanamine (CID 43489136) is N-[cyclobutyl(phenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl(phenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl(phenyl)methyl]ethanamine is CCNC(c1ccccc1)C1CCC1.
What is the InChIKey of N-[cyclobutyl(phenyl)methyl]ethanamine?
The InChIKey is SQCDDUMHMPCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-14-13(12-9-6-10-12)11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3.
What are the key properties of N-[cyclobutyl(phenyl)methyl]ethanamine?
N-[cyclobutyl(phenyl)methyl]ethanamine has a molecular weight of 189.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(phenyl)methyl]ethanamine is sourced from PubChem (CID 43489136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).