N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C17H24F3N — CID 105084116

IUPACN-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-2-12-21-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18,19)20/h3-5,8-9,14-16,21H,2,6-7,10-12H2,1H3
InChIKeyBZWWEGBSNGHYPK-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.10
Rot. Bonds5

About N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105084116) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105084116
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-2-12-21-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18,19)20/h3-5,8-9,14-16,21H,2,6-7,10-12H2,1H3
InChIKeyBZWWEGBSNGHYPK-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105078920
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105125593
N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105081119
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
N-ethyl-2-phenyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622288
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
[(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105326392
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105084116) is N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(c1ccccc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is BZWWEGBSNGHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-12-21-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18,19)20/h3-5,8-9,14-16,21H,2,6-7,10-12H2,1H3.
What are the key properties of N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105084116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).