4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol

C13H15ClF3NO — CID 117473837

IUPAC4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
SMILESNC1(c2cc(Cl)c(O)c(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C13H15ClF3NO/c14-10-7-8(12(18)4-2-1-3-5-12)6-9(11(10)19)13(15,16)17/h6-7,19H,1-5,18H2
InChIKeyNDNVMXFIPXJWFN-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.18
Rot. Bonds1

About 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol

4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol (PubChem CID 117473837) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
PubChem CID117473837
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
SMILESNC1(c2cc(Cl)c(O)c(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C13H15ClF3NO/c14-10-7-8(12(18)4-2-1-3-5-12)6-9(11(10)19)13(15,16)17/h6-7,19H,1-5,18H2
InChIKeyNDNVMXFIPXJWFN-UHFFFAOYSA-N
XLogP4.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-6-chloro-4-(trifluoromethyl)phenol
CID 117448623
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
CID 84815573
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117114663
1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 83412159
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 170897906
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 19261885
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
4-(1-aminocyclopentyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117406727
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol?
The IUPAC name of 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol (CID 117473837) is 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol is NC1(c2cc(Cl)c(O)c(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol?
The InChIKey is NDNVMXFIPXJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c14-10-7-8(12(18)4-2-1-3-5-12)6-9(11(10)19)13(15,16)17/h6-7,19H,1-5,18H2.
What are the key properties of 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol?
4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol has a molecular weight of 293.72 g/mol, XLogP of 4.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol is sourced from PubChem (CID 117473837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).