2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol

C11H18N2O3 — CID 23104610

IUPAC2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
SMILESCc1cc(NC(CO)(CO)CO)ccc1N
InChIInChI=1S/C11H18N2O3/c1-8-4-9(2-3-10(8)12)13-11(5-14,6-15)7-16/h2-4,13-16H,5-7,12H2,1H3
InChIKeyOAMMIQARDYEUEJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.30
Rot. Bonds5

About 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol

2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 23104610) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID23104610
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
SMILESCc1cc(NC(CO)(CO)CO)ccc1N
InChIInChI=1S/C11H18N2O3/c1-8-4-9(2-3-10(8)12)13-11(5-14,6-15)7-16/h2-4,13-16H,5-7,12H2,1H3
InChIKeyOAMMIQARDYEUEJ-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-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
CID 62523635
2-amino-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]benzonitrile
CID 114008231
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845627
2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845390
5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol
CID 106141231
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
ethyl 2-(4-amino-3-methylanilino)-4-phenyl-2-sulfanylbutanoate
CID 87733611

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol (CID 23104610) is 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol is Cc1cc(NC(CO)(CO)CO)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is OAMMIQARDYEUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-4-9(2-3-10(8)12)13-11(5-14,6-15)7-16/h2-4,13-16H,5-7,12H2,1H3.
What are the key properties of 2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol?
2-(4-amino-3-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-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 23104610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).