1-cyclobutyl-N-(2-phenylethyl)propan-2-amine

C15H23N — CID 115705957

IUPAC1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
SMILESCC(CC1CCC1)NCCc1ccccc1
InChIInChI=1S/C15H23N/c1-13(12-15-8-5-9-15)16-11-10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyNIUNBRLKTNUXBP-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.40
Rot. Bonds6

About 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine

1-cyclobutyl-N-(2-phenylethyl)propan-2-amine (PubChem CID 115705957) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
PubChem CID115705957
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
SMILESCC(CC1CCC1)NCCc1ccccc1
InChIInChI=1S/C15H23N/c1-13(12-15-8-5-9-15)16-11-10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyNIUNBRLKTNUXBP-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

1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 115704314
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
CID 115704098
N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
CID 115707813
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115715095

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine (CID 115705957) is 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine is CC(CC1CCC1)NCCc1ccccc1.
What is the InChIKey of 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine?
The InChIKey is NIUNBRLKTNUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13(12-15-8-5-9-15)16-11-10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3.
What are the key properties of 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine?
1-cyclobutyl-N-(2-phenylethyl)propan-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 1-cyclobutyl-N-(2-phenylethyl)propan-2-amine is sourced from PubChem (CID 115705957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).