3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol

C17H20ClNO — CID 107100511

IUPAC3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H20ClNO/c1-11-6-8-13(9-7-11)15(10-19)17(20)14-4-3-5-16(18)12(14)2/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyOCANWGUECJECJI-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.73
Rot. Bonds4

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

3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 107100511) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID107100511
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H20ClNO/c1-11-6-8-13(9-7-11)15(10-19)17(20)14-4-3-5-16(18)12(14)2/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyOCANWGUECJECJI-UHFFFAOYSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107100522
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
3-chloro-1-(3-chloro-2-methylphenyl)propane-1,2-diol
CID 171861580
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol (CID 107100511) is 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is OCANWGUECJECJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-6-8-13(9-7-11)15(10-19)17(20)14-4-3-5-16(18)12(14)2/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 107100511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).