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

C16H17Cl2NO — CID 65185357

IUPAC3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-4-2-3-5-12(10)16(20)14(9-19)13-7-6-11(17)8-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyCKUAGOKURWLKIP-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.08
Rot. Bonds4

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

3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 65185357) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
PubChem CID65185357
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-4-2-3-5-12(10)16(20)14(9-19)13-7-6-11(17)8-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyCKUAGOKURWLKIP-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-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808679
3-amino-2-(2,4-dichlorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65185608
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-2-(2,4-dichlorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65185355
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 107984150
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79083794
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol (CID 65185357) is 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)C(CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is CKUAGOKURWLKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-4-2-3-5-12(10)16(20)14(9-19)13-7-6-11(17)8-15(13)18/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol?
3-amino-2-(2,4-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-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 65185357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).