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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Related Compounds

3-[3-(2-methylphenyl)anilino]propane-1,2-diol
CID 168596529
3-(3-methylanilino)propane-1,2-diol
CID 3016394
1-chloro-3-[2-(3,4-dimethylphenyl)anilino]propan-2-ol
CID 168639685
N-methyl-2-(3-methylphenyl)aniline
CID 59454343
2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 168597571
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
3-[4-amino-2-(3-fluorophenyl)anilino]propane-1,2-diol
CID 18371387
[3-(2,3-dihydroxypropylamino)-2-methylphenyl]boronic acid
CID 168597479
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
CID 168596784
4-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzonitrile
CID 168641046

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).