1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine

C17H27N — CID 113489748

IUPAC1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
SMILESCCc1ccc(C(C)NC(C)CC2CCC2)cc1
InChIInChI=1S/C17H27N/c1-4-15-8-10-17(11-9-15)14(3)18-13(2)12-16-6-5-7-16/h8-11,13-14,16,18H,4-7,12H2,1-3H3
InChIKeyWIDUFJYWMGCYMH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.48
Rot. Bonds6

About 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine

1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine (PubChem CID 113489748) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
PubChem CID113489748
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
SMILESCCc1ccc(C(C)NC(C)CC2CCC2)cc1
InChIInChI=1S/C17H27N/c1-4-15-8-10-17(11-9-15)14(3)18-13(2)12-16-6-5-7-16/h8-11,13-14,16,18H,4-7,12H2,1-3H3
InChIKeyWIDUFJYWMGCYMH-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 114985854
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 95733790
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908
3-[1-(4-ethylphenyl)ethylamino]butanamide
CID 71902063
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine (CID 113489748) is 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine is CCc1ccc(C(C)NC(C)CC2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine?
The InChIKey is WIDUFJYWMGCYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-15-8-10-17(11-9-15)14(3)18-13(2)12-16-6-5-7-16/h8-11,13-14,16,18H,4-7,12H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine?
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 113489748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).