4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol

C17H20ClNO3 — CID 111825465

IUPAC4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(C)CC(O)c2cccc(Cl)c2)ccc1O
InChIInChI=1S/C17H20ClNO3/c1-19(10-12-6-7-15(20)17(8-12)22-2)11-16(21)13-4-3-5-14(18)9-13/h3-9,16,20-21H,10-11H2,1-2H3
InChIKeyOQHHUTWRTWISRV-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.22
Rot. Bonds6

About 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol

4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol (PubChem CID 111825465) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
PubChem CID111825465
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(C)CC(O)c2cccc(Cl)c2)ccc1O
InChIInChI=1S/C17H20ClNO3/c1-19(10-12-6-7-15(20)17(8-12)22-2)11-16(21)13-4-3-5-14(18)9-13/h3-9,16,20-21H,10-11H2,1-2H3
InChIKeyOQHHUTWRTWISRV-UHFFFAOYSA-N
XLogP3.22
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol with MolForge

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Related Compounds

1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
CID 13248722
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 173340110
1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol
CID 173340486
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
CID 111487359

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol (CID 111825465) is 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol is COc1cc(CN(C)CC(O)c2cccc(Cl)c2)ccc1O.
What is the InChIKey of 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol?
The InChIKey is OQHHUTWRTWISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-19(10-12-6-7-15(20)17(8-12)22-2)11-16(21)13-4-3-5-14(18)9-13/h3-9,16,20-21H,10-11H2,1-2H3.
What are the key properties of 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol?
4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol has a molecular weight of 321.80 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 111825465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).