N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine

C14H18F3N — CID 105403349

IUPACN-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(C(F)(F)F)CCCCC1c1ccccc1
InChIInChI=1S/C14H18F3N/c1-18-13(14(15,16)17)10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12,18H,5-6,9-10H2,1H3
InChIKeyHGZVLBMIIOJHFB-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.86
Rot. Bonds2

About N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine

N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 105403349) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID105403349
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(C(F)(F)F)CCCCC1c1ccccc1
InChIInChI=1S/C14H18F3N/c1-18-13(14(15,16)17)10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12,18H,5-6,9-10H2,1H3
InChIKeyHGZVLBMIIOJHFB-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 105403081
2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid
CID 105401946
(1,2-diphenylcyclohexyl)silane
CID 175556330
4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 168810453
(1,2-diphenylcyclooctyl)phosphane
CID 22238653
(5S,6S)-6-phenyl-1-azaspiro[4.5]decane
CID 97356341
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
methyl 1-(cyclopropylmethylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401936
(1-methoxy-2-phenylcyclohexyl)methanamine
CID 105403899
(1-anilino-2-phenylcyclohexyl)methanol
CID 105403088
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine (CID 105403349) is N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine is CNC1(C(F)(F)F)CCCCC1c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HGZVLBMIIOJHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-18-13(14(15,16)17)10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12,18H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine?
N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 105403349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).