3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol

C16H17Cl2NO — CID 81325141

IUPAC3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESCc1cc(Cl)cc(C(O)C(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-6-12(8-14(18)7-10)16(20)15(9-19)11-2-4-13(17)5-3-11/h2-8,15-16,20H,9,19H2,1H3
InChIKeyDOCBXMDBQZPHLA-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.08
Rot. Bonds4

About 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol

3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol (PubChem CID 81325141) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
PubChem CID81325141
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESCc1cc(Cl)cc(C(O)C(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-6-12(8-14(18)7-10)16(20)15(9-19)11-2-4-13(17)5-3-11/h2-8,15-16,20H,9,19H2,1H3
InChIKeyDOCBXMDBQZPHLA-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

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Related Compounds

3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971
3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 81316223
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
2-(3-chloro-5-methylphenyl)-3-methylbutan-1-amine
CID 83703370
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
CID 65186364
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-1-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 82876372

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol (CID 81325141) is 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol is Cc1cc(Cl)cc(C(O)C(CN)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is DOCBXMDBQZPHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-6-12(8-14(18)7-10)16(20)15(9-19)11-2-4-13(17)5-3-11/h2-8,15-16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol?
3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)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-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 81325141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).