3-[2-(3-methylphenyl)anilino]propane-1,2-diol

C16H19NO2 — CID 168593271

IUPAC3-[2-(3-methylphenyl)anilino]propane-1,2-diol
SMILESCc1cccc(-c2ccccc2NCC(O)CO)c1
InChIInChI=1S/C16H19NO2/c1-12-5-4-6-13(9-12)15-7-2-3-8-16(15)17-10-14(19)11-18/h2-9,14,17-19H,10-11H2,1H3
InChIKeyRXKXXJAULYIJBN-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.43
Rot. Bonds5

About 3-[2-(3-methylphenyl)anilino]propane-1,2-diol

3-[2-(3-methylphenyl)anilino]propane-1,2-diol (PubChem CID 168593271) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)anilino]propane-1,2-diol
PubChem CID168593271
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[2-(3-methylphenyl)anilino]propane-1,2-diol
SMILESCc1cccc(-c2ccccc2NCC(O)CO)c1
InChIInChI=1S/C16H19NO2/c1-12-5-4-6-13(9-12)15-7-2-3-8-16(15)17-10-14(19)11-18/h2-9,14,17-19H,10-11H2,1H3
InChIKeyRXKXXJAULYIJBN-UHFFFAOYSA-N
XLogP2.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-(3-methylphenyl)anilino]propane-1,2-diol (CID 168593271) is 3-[2-(3-methylphenyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(3-methylphenyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-(3-methylphenyl)anilino]propane-1,2-diol is Cc1cccc(-c2ccccc2NCC(O)CO)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)anilino]propane-1,2-diol?
The InChIKey is RXKXXJAULYIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-4-6-13(9-12)15-7-2-3-8-16(15)17-10-14(19)11-18/h2-9,14,17-19H,10-11H2,1H3.
What are the key properties of 3-[2-(3-methylphenyl)anilino]propane-1,2-diol?
3-[2-(3-methylphenyl)anilino]propane-1,2-diol has a molecular weight of 257.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168593271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).