2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline

C14H19F3N2 — CID 66418811

IUPAC2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
SMILESNc1ccccc1CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-6-2-4-8-13(11)19-9-10-5-1-3-7-12(10)18/h1,3,5,7,11,13,19H,2,4,6,8-9,18H2
InChIKeyGMYZSBKPVQLBBR-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds3

About 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline

2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline (PubChem CID 66418811) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
PubChem CID66418811
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
SMILESNc1ccccc1CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-6-2-4-8-13(11)19-9-10-5-1-3-7-12(10)18/h1,3,5,7,11,13,19H,2,4,6,8-9,18H2
InChIKeyGMYZSBKPVQLBBR-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
Benzenamine, N-ethyl-2-methyl-
CID 7201
Despropionyl meta-fluorofentanyl
CID 23741730
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670
2-amino-N-cyclohexyl-N-methylbenzylamine
CID 93648
N-benzyl-4-fluoroaniline
CID 913402
N-Allyl-ortho-toluidine
CID 250708
2-(Pyrrolidin-1-ylmethyl)aniline
CID 264311
N-(Alpha-allylbenzyl)aniline
CID 478545
1-benzyl-N-(2-fluorophenyl)piperidin-4-amine
CID 867403
N-Benzyl-o-toluidine
CID 79402

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline?
The IUPAC name of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline (CID 66418811) is 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline.
What is the SMILES notation for 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline?
The canonical SMILES for 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline is Nc1ccccc1CNC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline?
The InChIKey is GMYZSBKPVQLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)11-6-2-4-8-13(11)19-9-10-5-1-3-7-12(10)18/h1,3,5,7,11,13,19H,2,4,6,8-9,18H2.
What are the key properties of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline?
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline has a molecular weight of 272.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline is sourced from PubChem (CID 66418811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).