N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C15H20F3N — CID 81350691

IUPACN-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C15H20F3N/c1-11(12-5-3-2-4-6-12)19-14-9-7-13(8-10-14)15(16,17)18/h2-6,11,13-14,19H,7-10H2,1H3/t11-,13?,14?/m0/s1
InChIKeyKPTURIFZWLBICM-XGNXJENSSA-N
MW271.33 g/mol
LogP4.46
Rot. Bonds3

About N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 81350691) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID81350691
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C15H20F3N/c1-11(12-5-3-2-4-6-12)19-14-9-7-13(8-10-14)15(16,17)18/h2-6,11,13-14,19H,7-10H2,1H3/t11-,13?,14?/m0/s1
InChIKeyKPTURIFZWLBICM-XGNXJENSSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730386
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
CID 97160739
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N-(1-phenylethyl)oxan-4-amine
CID 43608319
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534
N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 81350691) is N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine is C[C@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KPTURIFZWLBICM-XGNXJENSSA-N. The full InChI is InChI=1S/C15H20F3N/c1-11(12-5-3-2-4-6-12)19-14-9-7-13(8-10-14)15(16,17)18/h2-6,11,13-14,19H,7-10H2,1H3/t11-,13?,14?/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 81350691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).