2-methyl-2-(2-methylanilino)propane-1,3-diol

C11H17NO2 — CID 130509283

IUPAC2-methyl-2-(2-methylanilino)propane-1,3-diol
SMILESCc1ccccc1NC(C)(CO)CO
InChIInChI=1S/C11H17NO2/c1-9-5-3-4-6-10(9)12-11(2,7-13)8-14/h3-6,12-14H,7-8H2,1-2H3
InChIKeyFVAGBANVDHUDNX-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.15
Rot. Bonds4

About 2-methyl-2-(2-methylanilino)propane-1,3-diol

2-methyl-2-(2-methylanilino)propane-1,3-diol (PubChem CID 130509283) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methyl-2-(2-methylanilino)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(2-methylanilino)propane-1,3-diol
PubChem CID130509283
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methyl-2-(2-methylanilino)propane-1,3-diol
SMILESCc1ccccc1NC(C)(CO)CO
InChIInChI=1S/C11H17NO2/c1-9-5-3-4-6-10(9)12-11(2,7-13)8-14/h3-6,12-14H,7-8H2,1-2H3
InChIKeyFVAGBANVDHUDNX-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol
CID 106523413
3-(3-fluorophenyl)-2-methyl-2-(2-methylanilino)propan-1-ol
CID 114834179
2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
CID 65377999
2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
CID 61047505
2-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 64550174
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731
2-(2-methylanilino)-2-pyridin-3-ylpropan-1-ol
CID 61046057
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol
CID 107105784
3-(2-methylanilino)propan-1-ol
CID 18005925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylanilino)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(2-methylanilino)propane-1,3-diol (CID 130509283) is 2-methyl-2-(2-methylanilino)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(2-methylanilino)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(2-methylanilino)propane-1,3-diol is Cc1ccccc1NC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-(2-methylanilino)propane-1,3-diol?
The InChIKey is FVAGBANVDHUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-5-3-4-6-10(9)12-11(2,7-13)8-14/h3-6,12-14H,7-8H2,1-2H3.
What are the key properties of 2-methyl-2-(2-methylanilino)propane-1,3-diol?
2-methyl-2-(2-methylanilino)propane-1,3-diol has a molecular weight of 195.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylanilino)propane-1,3-diol is sourced from PubChem (CID 130509283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).