1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

C15H20F3N — CID 115863531

IUPAC1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)CC1CCC1
InChIInChI=1S/C15H20F3N/c1-19-14(9-11-3-2-4-11)10-12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,2-4,9-10H2,1H3
InChIKeyAWPGAWVELXUJBI-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.03
Rot. Bonds5

About 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 115863531) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID115863531
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)CC1CCC1
InChIInChI=1S/C15H20F3N/c1-19-14(9-11-3-2-4-11)10-12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,2-4,9-10H2,1H3
InChIKeyAWPGAWVELXUJBI-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
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CID 114458140
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
1-(2-bromo-3-cyclopropylpropyl)-4-(trifluoromethyl)benzene
CID 55224852
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 115863531) is 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is CNC(Cc1ccc(C(F)(F)F)cc1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is AWPGAWVELXUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-19-14(9-11-3-2-4-11)10-12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,2-4,9-10H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 271.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 115863531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).