1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine

C13H15ClF3N — CID 117114663

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2cc(Cl)cc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C13H15ClF3N/c14-11-7-9(6-10(8-11)13(15,16)17)12(18)4-2-1-3-5-12/h6-8H,1-5,18H2
InChIKeyOFVHHHIBOUBIMR-UHFFFAOYSA-N
MW277.72 g/mol
LogP4.48
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine

1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 117114663) has the molecular formula C13H15ClF3N and a molecular weight of 277.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID117114663
Molecular FormulaC13H15ClF3N
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2cc(Cl)cc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C13H15ClF3N/c14-11-7-9(6-10(8-11)13(15,16)17)12(18)4-2-1-3-5-12/h6-8H,1-5,18H2
InChIKeyOFVHHHIBOUBIMR-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 83412159
[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117112227
4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
CID 117473837
2-(1-aminocyclopentyl)-6-chloro-4-(trifluoromethyl)phenol
CID 117448623
1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117118415
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
CID 137333018
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 116699208
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
2-(1-aminocyclobutyl)-6-bromo-4-(trifluoromethyl)phenol
CID 117494660

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 117114663) is 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine is NC1(c2cc(Cl)cc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is OFVHHHIBOUBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N/c14-11-7-9(6-10(8-11)13(15,16)17)12(18)4-2-1-3-5-12/h6-8H,1-5,18H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine?
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 277.72 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117114663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).