(1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol

C18H20ClNO3 — CID 166011973

IUPAC(1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol
SMILESN[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccc(Cl)cc2)[C@@H]1O
InChIInChI=1S/C18H20ClNO3/c19-12-8-10-13(11-9-12)22-15-5-1-2-6-16(15)23-17-7-3-4-14(20)18(17)21/h1-2,5-6,8-11,14,17-18,21H,3-4,7,20H2/t14-,17-,18-/m1/s1
InChIKeyYNKYAWSQLBWQHJ-ZTFGCOKTSA-N
MW333.82 g/mol
LogP3.75
Rot. Bonds4

About (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol

(1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol (PubChem CID 166011973) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol
PubChem CID166011973
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name(1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol
SMILESN[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccc(Cl)cc2)[C@@H]1O
InChIInChI=1S/C18H20ClNO3/c19-12-8-10-13(11-9-12)22-15-5-1-2-6-16(15)23-17-7-3-4-14(20)18(17)21/h1-2,5-6,8-11,14,17-18,21H,3-4,7,20H2/t14-,17-,18-/m1/s1
InChIKeyYNKYAWSQLBWQHJ-ZTFGCOKTSA-N
XLogP3.75
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6R)-2-amino-6-(2-phenoxyanilino)cyclohexan-1-ol
CID 110129018
4-[[(1R,2R,3R)-2-hydroxy-3-(2-phenoxyphenoxy)cyclohexyl]amino]-4-oxobutanoic acid
CID 110147492
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
2-(2-ethoxyphenoxy)cyclopentan-1-amine
CID 16781253
2-(2-aminocyclopentyl)oxybenzoic acid
CID 117053950
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
CID 54259316
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide
CID 91554792
(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol
CID 1472162
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol?
The IUPAC name of (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol (CID 166011973) is (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol?
The canonical SMILES for (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol is N[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccc(Cl)cc2)[C@@H]1O.
What is the InChIKey of (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol?
The InChIKey is YNKYAWSQLBWQHJ-ZTFGCOKTSA-N. The full InChI is InChI=1S/C18H20ClNO3/c19-12-8-10-13(11-9-12)22-15-5-1-2-6-16(15)23-17-7-3-4-14(20)18(17)21/h1-2,5-6,8-11,14,17-18,21H,3-4,7,20H2/t14-,17-,18-/m1/s1.
What are the key properties of (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol?
(1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol has a molecular weight of 333.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 166011973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).