2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol

C12H15ClFNO — CID 58076707

IUPAC2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol
SMILESNC1CC(c2ccc(F)cc2Cl)CCC1O
InChIInChI=1S/C12H15ClFNO/c13-10-6-8(14)2-3-9(10)7-1-4-12(16)11(15)5-7/h2-3,6-7,11-12,16H,1,4-5,15H2
InChIKeySURUQXVYWWKTOJ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.43
Rot. Bonds1

About 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol

2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol (PubChem CID 58076707) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol
PubChem CID58076707
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol
SMILESNC1CC(c2ccc(F)cc2Cl)CCC1O
InChIInChI=1S/C12H15ClFNO/c13-10-6-8(14)2-3-9(10)7-1-4-12(16)11(15)5-7/h2-3,6-7,11-12,16H,1,4-5,15H2
InChIKeySURUQXVYWWKTOJ-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol
CID 139433776
2-chloro-1-[(3R)-4,4-difluoro-3-methylcyclohexyl]-4-fluorobenzene
CID 177192079
2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene
CID 177193132
3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine
CID 67175533
4-(3-aminocyclopentyl)-3-chlorophenol
CID 130045784
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165
3-(2-chloro-4-iodophenyl)cyclopentan-1-amine
CID 130045782
(1S,2S,3S)-3-(2-chloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-2-ol
CID 91007247
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-N-methylcyclopentanamine
CID 175832695
(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600890
cis-(1S,3R)-N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3-fluorocyclopentan-1-amine
CID 153338627
1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
CID 155757718

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol (CID 58076707) is 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol is NC1CC(c2ccc(F)cc2Cl)CCC1O.
What is the InChIKey of 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol?
The InChIKey is SURUQXVYWWKTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-6-8(14)2-3-9(10)7-1-4-12(16)11(15)5-7/h2-3,6-7,11-12,16H,1,4-5,15H2.
What are the key properties of 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol?
2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol has a molecular weight of 243.71 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 58076707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).