3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine

C14H16F3N — CID 65171795

IUPAC3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
SMILESNC1C=C(Cc2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)12-5-1-3-10(8-12)7-11-4-2-6-13(18)9-11/h1,3,5,8-9,13H,2,4,6-7,18H2
InChIKeyKGUYCHLFMIDULQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.69
Rot. Bonds2

About 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine

3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine (PubChem CID 65171795) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
PubChem CID65171795
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
SMILESNC1C=C(Cc2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)12-5-1-3-10(8-12)7-11-4-2-6-13(18)9-11/h1,3,5,8-9,13H,2,4,6-7,18H2
InChIKeyKGUYCHLFMIDULQ-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(trifluoromethyl)phenyl]methyl]cyclohept-2-en-1-one
CID 107382752
3-[[3-(trifluoromethyl)phenyl]methyl]-8λ6-thiabicyclo[3.2.1]oct-2-ene 8,8-dioxide
CID 171974194
5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 174685755
3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol
CID 65177095
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117150243
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 79465808
[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152265
2-cyclopentyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112569664
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine (CID 65171795) is 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine is NC1C=C(Cc2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine?
The InChIKey is KGUYCHLFMIDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)12-5-1-3-10(8-12)7-11-4-2-6-13(18)9-11/h1,3,5,8-9,13H,2,4,6-7,18H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine?
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine has a molecular weight of 255.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 65171795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).