5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol

C16H18ClNO3 — CID 94803138

IUPAC5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H18ClNO3/c1-21-16-7-2-11(8-14(16)19)9-18-10-15(20)12-3-5-13(17)6-4-12/h2-8,15,18-20H,9-10H2,1H3/t15-/m0/s1
InChIKeyMFVXBRBIXUTKLS-HNNXBMFYSA-N
MW307.78 g/mol
LogP2.88
Rot. Bonds6

About 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol

5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol (PubChem CID 94803138) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
PubChem CID94803138
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H18ClNO3/c1-21-16-7-2-11(8-14(16)19)9-18-10-15(20)12-3-5-13(17)6-4-12/h2-8,15,18-20H,9-10H2,1H3/t15-/m0/s1
InChIKeyMFVXBRBIXUTKLS-HNNXBMFYSA-N
XLogP2.88
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol 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

1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
CID 110885649
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
CID 111104775
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 162972119
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
5-[[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]amino]methyl]-2-methoxyphenol
CID 95260955

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol (CID 94803138) is 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol is COc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol?
The InChIKey is MFVXBRBIXUTKLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-21-16-7-2-11(8-14(16)19)9-18-10-15(20)12-3-5-13(17)6-4-12/h2-8,15,18-20H,9-10H2,1H3/t15-/m0/s1.
What are the key properties of 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol?
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol has a molecular weight of 307.78 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 94803138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).