N-(cyclobutylmethyl)-1-phenylbutan-2-amine

C15H23N — CID 79007195

IUPACN-(cyclobutylmethyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC1CCC1
InChIInChI=1S/C15H23N/c1-2-15(16-12-14-9-6-10-14)11-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyOWOFUKZTTALIGS-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.40
Rot. Bonds6

About N-(cyclobutylmethyl)-1-phenylbutan-2-amine

N-(cyclobutylmethyl)-1-phenylbutan-2-amine (PubChem CID 79007195) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-phenylbutan-2-amine
PubChem CID79007195
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(cyclobutylmethyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC1CCC1
InChIInChI=1S/C15H23N/c1-2-15(16-12-14-9-6-10-14)11-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyOWOFUKZTTALIGS-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 104922944
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
CID 79008013
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 102610105
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine
CID 103904112
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-phenylbutan-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-phenylbutan-2-amine (CID 79007195) is N-(cyclobutylmethyl)-1-phenylbutan-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-phenylbutan-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-1-phenylbutan-2-amine?
The InChIKey is OWOFUKZTTALIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-15(16-12-14-9-6-10-14)11-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-phenylbutan-2-amine?
N-(cyclobutylmethyl)-1-phenylbutan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79007195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).