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

C11H18N2O3 — CID 107845627

IUPAC2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
SMILESCc1cccc(N)c1NC(CO)(CO)CO
InChIInChI=1S/C11H18N2O3/c1-8-3-2-4-9(12)10(8)13-11(5-14,6-15)7-16/h2-4,13-16H,5-7,12H2,1H3
InChIKeyBMTXPUHPHNOTQY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.30
Rot. Bonds5

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

2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845627) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845627
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
SMILESCc1cccc(N)c1NC(CO)(CO)CO
InChIInChI=1S/C11H18N2O3/c1-8-3-2-4-9(12)10(8)13-11(5-14,6-15)7-16/h2-4,13-16H,5-7,12H2,1H3
InChIKeyBMTXPUHPHNOTQY-UHFFFAOYSA-N
XLogP-0.30
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
CID 115550597
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393
3-methyl-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 115550347
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
2-hydrazinyl-3-methylaniline
CID 118990747
2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 23104610
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688
2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
3-methyl-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142598
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol
CID 107105784

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol (CID 107845627) is 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol is Cc1cccc(N)c1NC(CO)(CO)CO.
What is the InChIKey of 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is BMTXPUHPHNOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-3-2-4-9(12)10(8)13-11(5-14,6-15)7-16/h2-4,13-16H,5-7,12H2,1H3.
What are the key properties of 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 226.28 g/mol, XLogP of -0.30, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).