1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol

C10H13Cl2NO — CID 82290486

IUPAC1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-6-8(14)5-7-3-2-4-9(11)10(7)12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyVQMXEZJXPAHHSE-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.12
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol

1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol (PubChem CID 82290486) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
PubChem CID82290486
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-6-8(14)5-7-3-2-4-9(11)10(7)12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyVQMXEZJXPAHHSE-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
CID 107308124
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 107312517
3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107309848
1-(2,3-dichlorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 107308144

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol (CID 82290486) is 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol is CNCC(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol?
The InChIKey is VQMXEZJXPAHHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13-6-8(14)5-7-3-2-4-9(11)10(7)12/h2-4,8,13-14H,5-6H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol?
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol has a molecular weight of 234.13 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 82290486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).