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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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).