3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol

C16H17Cl2NO — CID 65190727

IUPAC3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-4-2-3-5-12(10)16(20)13(9-19)11-6-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3
InChIKeyBIHGSEMIEZTMSQ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.08
Rot. Bonds4

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

3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 65190727) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
PubChem CID65190727
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-4-2-3-5-12(10)16(20)13(9-19)11-6-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3
InChIKeyBIHGSEMIEZTMSQ-UHFFFAOYSA-N
XLogP4.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol with MolForge

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Related Compounds

3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107100522
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol (CID 65190727) is 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is BIHGSEMIEZTMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-4-2-3-5-12(10)16(20)13(9-19)11-6-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 310.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 65190727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).