4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol

C14H19Cl2NO2 — CID 109379737

IUPAC4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cc(Cl)c(CNC2CCC(O)CC2)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-19-14-7-12(15)9(6-13(14)16)8-17-10-2-4-11(18)5-3-10/h6-7,10-11,17-18H,2-5,8H2,1H3
InChIKeyKEYAVTIXTRRNCG-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.40
Rot. Bonds4

About 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol

4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 109379737) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID109379737
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cc(Cl)c(CNC2CCC(O)CC2)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-19-14-7-12(15)9(6-13(14)16)8-17-10-2-4-11(18)5-3-10/h6-7,10-11,17-18H,2-5,8H2,1H3
InChIKeyKEYAVTIXTRRNCG-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 59494193
1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol
CID 109379748
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]cycloheptanamine
CID 66530918
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride
CID 56827806
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol (CID 109379737) is 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol is COc1cc(Cl)c(CNC2CCC(O)CC2)cc1Cl.
What is the InChIKey of 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is KEYAVTIXTRRNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-19-14-7-12(15)9(6-13(14)16)8-17-10-2-4-11(18)5-3-10/h6-7,10-11,17-18H,2-5,8H2,1H3.
What are the key properties of 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol?
4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 304.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 109379737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).