4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline

C14H17ClF3N — CID 43082566

IUPAC4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H17ClF3N/c15-13-7-6-11(8-12(13)14(16,17)18)19-9-10-4-2-1-3-5-10/h6-8,10,19H,1-5,9H2
InChIKeyRZSAQAOTARVRNF-UHFFFAOYSA-N
MW291.74 g/mol
LogP5.35
Rot. Bonds3

About 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline

4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 43082566) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
PubChem CID43082566
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H17ClF3N/c15-13-7-6-11(8-12(13)14(16,17)18)19-9-10-4-2-1-3-5-10/h6-8,10,19H,1-5,9H2
InChIKeyRZSAQAOTARVRNF-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.74
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43082564
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
3,5-dichloro-N-(cyclohexylmethyl)aniline
CID 18778534
4-(cyclopropylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 11481851
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline (CID 43082566) is 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NCC2CCCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is RZSAQAOTARVRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c15-13-7-6-11(8-12(13)14(16,17)18)19-9-10-4-2-1-3-5-10/h6-8,10,19H,1-5,9H2.
What are the key properties of 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 291.74 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43082566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).