2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline

C14H16ClF3N2 — CID 4136280

IUPAC2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline
SMILESCC1CCC(=NNc2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C14H16ClF3N2/c1-9-2-5-11(6-3-9)19-20-13-8-10(14(16,17)18)4-7-12(13)15/h4,7-9,20H,2-3,5-6H2,1H3/b19-11-
InChIKeyRMGUBBSBVBIFMG-ODLFYWEKSA-N
MW304.74 g/mol
LogP5.34
Rot. Bonds2

About 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline

2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline (PubChem CID 4136280) has the molecular formula C14H16ClF3N2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline
PubChem CID4136280
Molecular FormulaC14H16ClF3N2
Molecular Weight304.74 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline
SMILESCC1CCC(=NNc2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C14H16ClF3N2/c1-9-2-5-11(6-3-9)19-20-13-8-10(14(16,17)18)4-7-12(13)15/h4,7-9,20H,2-3,5-6H2,1H3/b19-11-
InChIKeyRMGUBBSBVBIFMG-ODLFYWEKSA-N
XLogP5.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.74
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylcyclohexylidene)amino]-2-nitro-4-(trifluoromethyl)aniline
CID 4540398
2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 43102875
2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
CID 3312956
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254460
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250965
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183554
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746
N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine
CID 63622161
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[(2R)-2-methylcyclohexylidene]amino]butanediamide
CID 6989422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline (CID 4136280) is 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline is CC1CCC(=NNc2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline?
The InChIKey is RMGUBBSBVBIFMG-ODLFYWEKSA-N. The full InChI is InChI=1S/C14H16ClF3N2/c1-9-2-5-11(6-3-9)19-20-13-8-10(14(16,17)18)4-7-12(13)15/h4,7-9,20H,2-3,5-6H2,1H3/b19-11-.
What are the key properties of 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline?
2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline has a molecular weight of 304.74 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 4136280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).