2-(2-amino-6-methylanilino)propane-1,3-diol

C10H16N2O2 — CID 115550630

IUPAC2-(2-amino-6-methylanilino)propane-1,3-diol
SMILESCc1cccc(N)c1NC(CO)CO
InChIInChI=1S/C10H16N2O2/c1-7-3-2-4-9(11)10(7)12-8(5-13)6-14/h2-4,8,12-14H,5-6,11H2,1H3
InChIKeySNKKBJOXZRNZNG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds4

About 2-(2-amino-6-methylanilino)propane-1,3-diol

2-(2-amino-6-methylanilino)propane-1,3-diol (PubChem CID 115550630) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-amino-6-methylanilino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-amino-6-methylanilino)propane-1,3-diol
PubChem CID115550630
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2-amino-6-methylanilino)propane-1,3-diol
SMILESCc1cccc(N)c1NC(CO)CO
InChIInChI=1S/C10H16N2O2/c1-7-3-2-4-9(11)10(7)12-8(5-13)6-14/h2-4,8,12-14H,5-6,11H2,1H3
InChIKeySNKKBJOXZRNZNG-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688
2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550554
2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845627
2-hydrazinyl-3-methylaniline
CID 118990747
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
2-N-(4-methoxybutan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550603
2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
CID 107105706
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687
2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550261
2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550104
2-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 113333660

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylanilino)propane-1,3-diol?
The IUPAC name of 2-(2-amino-6-methylanilino)propane-1,3-diol (CID 115550630) is 2-(2-amino-6-methylanilino)propane-1,3-diol.
What is the SMILES notation for 2-(2-amino-6-methylanilino)propane-1,3-diol?
The canonical SMILES for 2-(2-amino-6-methylanilino)propane-1,3-diol is Cc1cccc(N)c1NC(CO)CO.
What is the InChIKey of 2-(2-amino-6-methylanilino)propane-1,3-diol?
The InChIKey is SNKKBJOXZRNZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-3-2-4-9(11)10(7)12-8(5-13)6-14/h2-4,8,12-14H,5-6,11H2,1H3.
What are the key properties of 2-(2-amino-6-methylanilino)propane-1,3-diol?
2-(2-amino-6-methylanilino)propane-1,3-diol has a molecular weight of 196.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylanilino)propane-1,3-diol is sourced from PubChem (CID 115550630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).