N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H19F4N — CID 62134250

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(F)ccc1CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H19F4N/c1-10-8-12(16)7-6-11(10)9-20-14-5-3-2-4-13(14)15(17,18)19/h6-8,13-14,20H,2-5,9H2,1H3
InChIKeyBQHMZUFQYQFAMV-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.34
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 62134250) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID62134250
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(F)ccc1CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H19F4N/c1-10-8-12(16)7-6-11(10)9-20-14-5-3-2-4-13(14)15(17,18)19/h6-8,13-14,20H,2-5,9H2,1H3
InChIKeyBQHMZUFQYQFAMV-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
CID 113243356
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63646209
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434463
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811
N-[(4-fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 62125242
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
CID 63052233
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 62134250) is N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1cc(F)ccc1CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BQHMZUFQYQFAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-10-8-12(16)7-6-11(10)9-20-14-5-3-2-4-13(14)15(17,18)19/h6-8,13-14,20H,2-5,9H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 62134250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).