1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine

C16H25N — CID 65458139

IUPAC1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)CC1CCC1
InChIInChI=1S/C16H25N/c1-3-17-16(11-14-5-4-6-14)12-15-9-7-13(2)8-10-15/h7-10,14,16-17H,3-6,11-12H2,1-2H3
InChIKeyPPCWEYKPZGQJLH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.71
Rot. Bonds6

About 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine

1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 65458139) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
PubChem CID65458139
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)CC1CCC1
InChIInChI=1S/C16H25N/c1-3-17-16(11-14-5-4-6-14)12-15-9-7-13(2)8-10-15/h7-10,14,16-17H,3-6,11-12H2,1-2H3
InChIKeyPPCWEYKPZGQJLH-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
1-cyclobutyl-N-ethyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103164343
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
1-(2-chloro-3-cyclobutylpropyl)-4-methylbenzene
CID 103166498
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine (CID 65458139) is 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine is CCNC(Cc1ccc(C)cc1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is PPCWEYKPZGQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-17-16(11-14-5-4-6-14)12-15-9-7-13(2)8-10-15/h7-10,14,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine?
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 65458139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).