(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol

C12H15Cl2NO — CID 139433776

IUPAC(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol
SMILESN[C@H]1C[C@@H](c2cc(Cl)ccc2Cl)CC[C@@H]1O
InChIInChI=1S/C12H15Cl2NO/c13-8-2-3-10(14)9(6-8)7-1-4-12(16)11(15)5-7/h2-3,6-7,11-12,16H,1,4-5,15H2/t7-,11-,12-/m0/s1
InChIKeyZUNPLBSYOBUKCZ-QILRFPOHSA-N
MW260.16 g/mol
LogP2.95
Rot. Bonds1

About (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol

(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol (PubChem CID 139433776) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol
PubChem CID139433776
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol
SMILESN[C@H]1C[C@@H](c2cc(Cl)ccc2Cl)CC[C@@H]1O
InChIInChI=1S/C12H15Cl2NO/c13-8-2-3-10(14)9(6-8)7-1-4-12(16)11(15)5-7/h2-3,6-7,11-12,16H,1,4-5,15H2/t7-,11-,12-/m0/s1
InChIKeyZUNPLBSYOBUKCZ-QILRFPOHSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol
CID 58076707
3-(2,5-dichlorophenyl)cycloheptan-1-ol
CID 64513926
3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine
CID 139448349
1-bromo-3-(2,5-dichlorophenyl)cycloheptane
CID 64506723
2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 81013313
2-(3-aminocyclopentyl)-5-chlorophenol
CID 130045818
1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
CID 45043194
4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol
CID 142617777
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
CID 81014836
1-chloro-2,4-dicyclopropylbenzene
CID 68785250
methyl 2-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetate
CID 155500106

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol (CID 139433776) is (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol is N[C@H]1C[C@@H](c2cc(Cl)ccc2Cl)CC[C@@H]1O.
What is the InChIKey of (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol?
The InChIKey is ZUNPLBSYOBUKCZ-QILRFPOHSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-8-2-3-10(14)9(6-8)7-1-4-12(16)11(15)5-7/h2-3,6-7,11-12,16H,1,4-5,15H2/t7-,11-,12-/m0/s1.
What are the key properties of (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol?
(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol has a molecular weight of 260.16 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 139433776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).