N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H20F3N — CID 43434463

IUPACN-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cccc(CNC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-11-5-4-6-12(9-11)10-19-14-8-3-2-7-13(14)15(16,17)18/h4-6,9,13-14,19H,2-3,7-8,10H2,1H3
InChIKeySJHYKIJHYVOLQM-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.21
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434463) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434463
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cccc(CNC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-11-5-4-6-12(9-11)10-19-14-8-3-2-7-13(14)15(16,17)18/h4-6,9,13-14,19H,2-3,7-8,10H2,1H3
InChIKeySJHYKIJHYVOLQM-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 79970039
1-N-methyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 170325151
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63646209
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
CID 63052233
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 43673906
N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 102909770
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 43434463) is N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1cccc(CNC2CCCCC2C(F)(F)F)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SJHYKIJHYVOLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-11-5-4-6-12(9-11)10-19-14-8-3-2-7-13(14)15(16,17)18/h4-6,9,13-14,19H,2-3,7-8,10H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).