3-(3,4-dimethylanilino)propane-1,2-diol

C11H17NO2 — CID 76891516

IUPAC3-(3,4-dimethylanilino)propane-1,2-diol
SMILESCc1ccc(NCC(O)CO)cc1C
InChIInChI=1S/C11H17NO2/c1-8-3-4-10(5-9(8)2)12-6-11(14)7-13/h3-5,11-14H,6-7H2,1-2H3
InChIKeyIFVHXRNNLCSFGA-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.07
Rot. Bonds4

About 3-(3,4-dimethylanilino)propane-1,2-diol

3-(3,4-dimethylanilino)propane-1,2-diol (PubChem CID 76891516) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)propane-1,2-diol
PubChem CID76891516
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(3,4-dimethylanilino)propane-1,2-diol
SMILESCc1ccc(NCC(O)CO)cc1C
InChIInChI=1S/C11H17NO2/c1-8-3-4-10(5-9(8)2)12-6-11(14)7-13/h3-5,11-14H,6-7H2,1-2H3
InChIKeyIFVHXRNNLCSFGA-UHFFFAOYSA-N
XLogP1.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
3-(4-methyl-3-nitroanilino)propane-1,2-diol
CID 66176067
3-[3-chloro-4-(3,4-dimethylphenoxy)anilino]propane-1,2-diol
CID 168596712
3-(3-methylanilino)propane-1,2-diol
CID 3016394
1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
CID 3119522
3-[3-(2-methylphenyl)anilino]propane-1,2-diol
CID 168596529
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
3-(4-chloroanilino)propane-1,2-diol
CID 76891534

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)propane-1,2-diol?
The IUPAC name of 3-(3,4-dimethylanilino)propane-1,2-diol (CID 76891516) is 3-(3,4-dimethylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(3,4-dimethylanilino)propane-1,2-diol?
The canonical SMILES for 3-(3,4-dimethylanilino)propane-1,2-diol is Cc1ccc(NCC(O)CO)cc1C.
What is the InChIKey of 3-(3,4-dimethylanilino)propane-1,2-diol?
The InChIKey is IFVHXRNNLCSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-3-4-10(5-9(8)2)12-6-11(14)7-13/h3-5,11-14H,6-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethylanilino)propane-1,2-diol?
3-(3,4-dimethylanilino)propane-1,2-diol has a molecular weight of 195.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)propane-1,2-diol is sourced from PubChem (CID 76891516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).