N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C17H24F3N — CID 79008757

IUPACN-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N/c1-2-15(12-13-6-4-3-5-7-13)21-16-10-8-14(9-11-16)17(18,19)20/h3-7,14-16,21H,2,8-12H2,1H3
InChIKeySPZROAHDYYEBIR-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.72
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79008757) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79008757
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N/c1-2-15(12-13-6-4-3-5-7-13)21-16-10-8-14(9-11-16)17(18,19)20/h3-7,14-16,21H,2,8-12H2,1H3
InChIKeySPZROAHDYYEBIR-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753673
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 79008757) is N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCC(Cc1ccccc1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SPZROAHDYYEBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-15(12-13-6-4-3-5-7-13)21-16-10-8-14(9-11-16)17(18,19)20/h3-7,14-16,21H,2,8-12H2,1H3.
What are the key properties of N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79008757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).