2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol

C12H20N2O2 — CID 107105784

IUPAC2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol
SMILESCc1cccc(CN)c1NC(C)(CO)CO
InChIInChI=1S/C12H20N2O2/c1-9-4-3-5-10(6-13)11(9)14-12(2,7-15)8-16/h3-5,14-16H,6-8,13H2,1-2H3
InChIKeyKGTXGHYQGAFNCC-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.61
Rot. Bonds5

About 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol

2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol (PubChem CID 107105784) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol
PubChem CID107105784
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol
SMILESCc1cccc(CN)c1NC(C)(CO)CO
InChIInChI=1S/C12H20N2O2/c1-9-4-3-5-10(6-13)11(9)14-12(2,7-15)8-16/h3-5,14-16H,6-8,13H2,1-2H3
InChIKeyKGTXGHYQGAFNCC-UHFFFAOYSA-N
XLogP0.61
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-methylanilino]ethanol
CID 107105672
2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
CID 115550597
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
CID 107105706
2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845627
(8-methylnaphthalen-1-yl)methanamine
CID 58219649
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline
CID 107105831
2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
CID 111432021

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol (CID 107105784) is 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol is Cc1cccc(CN)c1NC(C)(CO)CO.
What is the InChIKey of 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol?
The InChIKey is KGTXGHYQGAFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-4-3-5-10(6-13)11(9)14-12(2,7-15)8-16/h3-5,14-16H,6-8,13H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol?
2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol has a molecular weight of 224.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 107105784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).