3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol

C17H20ClNO2 — CID 65186281

IUPAC3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
SMILESCOc1cc(C(O)C(CN)c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C17H20ClNO2/c1-11-6-7-13(9-16(11)21-2)17(20)15(10-19)12-4-3-5-14(18)8-12/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyRZOTWKNBBWOLOB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.43
Rot. Bonds5

About 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol

3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol (PubChem CID 65186281) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
PubChem CID65186281
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
SMILESCOc1cc(C(O)C(CN)c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C17H20ClNO2/c1-11-6-7-13(9-16(11)21-2)17(20)15(10-19)12-4-3-5-14(18)8-12/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyRZOTWKNBBWOLOB-UHFFFAOYSA-N
XLogP3.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827972
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
3-amino-1-(5-iodothiophen-3-yl)-2-(3-methoxy-4-methylphenyl)propan-1-ol
CID 79691413
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 65185993
3-amino-2-(3-chlorophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65186329
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol (CID 65186281) is 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol is COc1cc(C(O)C(CN)c2cccc(Cl)c2)ccc1C.
What is the InChIKey of 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol?
The InChIKey is RZOTWKNBBWOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-6-7-13(9-16(11)21-2)17(20)15(10-19)12-4-3-5-14(18)8-12/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol?
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol has a molecular weight of 305.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65186281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).