3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol

C15H22ClNO3 — CID 43792280

IUPAC3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cc(CNC2CCCC(O)C2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-19-14-7-10(6-13(16)15(14)20-2)9-17-11-4-3-5-12(18)8-11/h6-7,11-12,17-18H,3-5,8-9H2,1-2H3
InChIKeyUZLLSBFLBQHZLJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.75
Rot. Bonds5

About 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol

3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 43792280) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID43792280
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cc(CNC2CCCC(O)C2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-19-14-7-10(6-13(16)15(14)20-2)9-17-11-4-3-5-12(18)8-11/h6-7,11-12,17-18H,3-5,8-9H2,1-2H3
InChIKeyUZLLSBFLBQHZLJ-UHFFFAOYSA-N
XLogP2.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 149151176
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792571
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601705
(2R,4aS,8aR)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 11945324

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol (CID 43792280) is 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol is COc1cc(CNC2CCCC(O)C2)cc(Cl)c1OC.
What is the InChIKey of 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is UZLLSBFLBQHZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-14-7-10(6-13(16)15(14)20-2)9-17-11-4-3-5-12(18)8-11/h6-7,11-12,17-18H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 299.80 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43792280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).