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

C11H18N2O — CID 116942340

IUPAC2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(N)C(N)CO)c(C)c1
InChIInChI=1S/C11H18N2O/c1-7-3-4-9(8(2)5-7)11(13)10(12)6-14/h3-5,10-11,14H,6,12-13H2,1-2H3
InChIKeySBATXBFSGBYAKN-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.62
Rot. Bonds3

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

2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol (PubChem CID 116942340) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
PubChem CID116942340
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(N)C(N)CO)c(C)c1
InChIInChI=1S/C11H18N2O/c1-7-3-4-9(8(2)5-7)11(13)10(12)6-14/h3-5,10-11,14H,6,12-13H2,1-2H3
InChIKeySBATXBFSGBYAKN-UHFFFAOYSA-N
XLogP0.62
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
3,4-diamino-4-(2,4-dimethylphenyl)butanoic acid
CID 116942779
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 131625562
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-amino-2-(2,4-dimethylphenyl)sulfanylethanol
CID 117034623
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine
CID 116717431

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol (CID 116942340) is 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(N)C(N)CO)c(C)c1.
What is the InChIKey of 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol?
The InChIKey is SBATXBFSGBYAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-3-4-9(8(2)5-7)11(13)10(12)6-14/h3-5,10-11,14H,6,12-13H2,1-2H3.
What are the key properties of 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol?
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 116942340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).