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

C16H22F3N — CID 43434076

IUPAC2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-2-13-7-3-4-9-15(13)20-11-12-6-5-8-14(10-12)16(17,18)19/h5-6,8,10,13,15,20H,2-4,7,9,11H2,1H3
InChIKeyWVBQTZMXUZLGLL-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.76
Rot. Bonds4

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

2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 43434076) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID43434076
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-2-13-7-3-4-9-15(13)20-11-12-6-5-8-14(10-12)16(17,18)19/h5-6,8,10,13,15,20H,2-4,7,9,11H2,1H3
InChIKeyWVBQTZMXUZLGLL-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 103701066
3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
CID 122031906
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43434136
N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 55200279
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 43434076) is 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is CCC1CCCCC1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is WVBQTZMXUZLGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-13-7-3-4-9-15(13)20-11-12-6-5-8-14(10-12)16(17,18)19/h5-6,8,10,13,15,20H,2-4,7,9,11H2,1H3.
What are the key properties of 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 43434076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).