1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol

C9H12Cl2N2O — CID 57144234

IUPAC1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
SMILESNCC(O)(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O/c10-7-2-1-6(3-8(7)11)9(14,4-12)5-13/h1-3,14H,4-5,12-13H2
InChIKeyTYXXRYIWYMOQKZ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.10
Rot. Bonds3

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

1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol (PubChem CID 57144234) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
PubChem CID57144234
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
SMILESNCC(O)(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O/c10-7-2-1-6(3-8(7)11)9(14,4-12)5-13/h1-3,14H,4-5,12-13H2
InChIKeyTYXXRYIWYMOQKZ-UHFFFAOYSA-N
XLogP1.10
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 57154824
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
CID 66792507
2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine
CID 112567048
1,2-dichloro-4-(trichloromethyl)benzene
CID 25608
ethyl 4-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 66321487
3-(4-chloro-3-ethylphenyl)pentan-3-ol
CID 91655907
3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
CID 63083776
3-(4-chloro-3-fluorophenyl)pentan-3-ol
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1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 55187137

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol (CID 57144234) is 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol is NCC(O)(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol?
The InChIKey is TYXXRYIWYMOQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c10-7-2-1-6(3-8(7)11)9(14,4-12)5-13/h1-3,14H,4-5,12-13H2.
What are the key properties of 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol?
1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol has a molecular weight of 235.11 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 57144234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).