2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol

C13H21NO2 — CID 75391145

IUPAC2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
SMILESCc1cccc(CNC(C)(CO)CO)c1C
InChIInChI=1S/C13H21NO2/c1-10-5-4-6-12(11(10)2)7-14-13(3,8-15)9-16/h4-6,14-16H,7-9H2,1-3H3
InChIKeyXIDJFBMTXIMDHD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds5

About 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol

2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol (PubChem CID 75391145) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
PubChem CID75391145
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
SMILESCc1cccc(CNC(C)(CO)CO)c1C
InChIInChI=1S/C13H21NO2/c1-10-5-4-6-12(11(10)2)7-14-13(3,8-15)9-16/h4-6,14-16H,7-9H2,1-3H3
InChIKeyXIDJFBMTXIMDHD-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol (CID 75391145) is 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol is Cc1cccc(CNC(C)(CO)CO)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
The InChIKey is XIDJFBMTXIMDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-4-6-12(11(10)2)7-14-13(3,8-15)9-16/h4-6,14-16H,7-9H2,1-3H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol has a molecular weight of 223.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 75391145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).