2-(4-methylanilino)-2-phenylethanol

C15H17NO — CID 10868027

IUPAC2-(4-methylanilino)-2-phenylethanol
SMILESCc1ccc(NC(CO)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12-7-9-14(10-8-12)16-15(11-17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3
InChIKeyKFMIAGTVOCCVST-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-methylanilino)-2-phenylethanol

2-(4-methylanilino)-2-phenylethanol (PubChem CID 10868027) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-methylanilino)-2-phenylethanol.

Molecular Properties

Compound Name2-(4-methylanilino)-2-phenylethanol
PubChem CID10868027
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(4-methylanilino)-2-phenylethanol
SMILESCc1ccc(NC(CO)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12-7-9-14(10-8-12)16-15(11-17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3
InChIKeyKFMIAGTVOCCVST-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-2-phenylethanol?
The IUPAC name of 2-(4-methylanilino)-2-phenylethanol (CID 10868027) is 2-(4-methylanilino)-2-phenylethanol.
What is the SMILES notation for 2-(4-methylanilino)-2-phenylethanol?
The canonical SMILES for 2-(4-methylanilino)-2-phenylethanol is Cc1ccc(NC(CO)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylanilino)-2-phenylethanol?
The InChIKey is KFMIAGTVOCCVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-7-9-14(10-8-12)16-15(11-17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3.
What are the key properties of 2-(4-methylanilino)-2-phenylethanol?
2-(4-methylanilino)-2-phenylethanol has a molecular weight of 227.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-2-phenylethanol is sourced from PubChem (CID 10868027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).