2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol

C13H17Cl2NO2 — CID 149151176

IUPAC2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
SMILESOc1c(Cl)cc(CN[C@H]2CCC[C@@H](O)C2)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-11-4-8(5-12(15)13(11)18)7-16-9-2-1-3-10(17)6-9/h4-5,9-10,16-18H,1-3,6-7H2/t9-,10+/m0/s1
InChIKeyXIQQYQWAPJDFMY-VHSXEESVSA-N
MW290.19 g/mol
LogP3.09
Rot. Bonds3

About 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol

2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol (PubChem CID 149151176) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
PubChem CID149151176
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
SMILESOc1c(Cl)cc(CN[C@H]2CCC[C@@H](O)C2)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-11-4-8(5-12(15)13(11)18)7-16-9-2-1-3-10(17)6-9/h4-5,9-10,16-18H,1-3,6-7H2/t9-,10+/m0/s1
InChIKeyXIQQYQWAPJDFMY-VHSXEESVSA-N
XLogP3.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol 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

3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 60870118
4-bromo-2-[[[(1R,3S)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 22801896
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 155509277
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol
CID 55080709
2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol
CID 107740875
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 43751195

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
The IUPAC name of 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol (CID 149151176) is 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol is Oc1c(Cl)cc(CN[C@H]2CCC[C@@H](O)C2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
The InChIKey is XIQQYQWAPJDFMY-VHSXEESVSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-11-4-8(5-12(15)13(11)18)7-16-9-2-1-3-10(17)6-9/h4-5,9-10,16-18H,1-3,6-7H2/t9-,10+/m0/s1.
What are the key properties of 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol has a molecular weight of 290.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol is sourced from PubChem (CID 149151176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).