2-(4-chloroanilino)-2-phenylethanol

C14H14ClNO — CID 11379636

IUPAC2-(4-chloroanilino)-2-phenylethanol
SMILESOCC(Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c15-12-6-8-13(9-7-12)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2
InChIKeyWIFSFRPDTGPRCZ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-chloroanilino)-2-phenylethanol

2-(4-chloroanilino)-2-phenylethanol (PubChem CID 11379636) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-phenylethanol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-phenylethanol
PubChem CID11379636
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-(4-chloroanilino)-2-phenylethanol
SMILESOCC(Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c15-12-6-8-13(9-7-12)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2
InChIKeyWIFSFRPDTGPRCZ-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-phenylethanol?
The IUPAC name of 2-(4-chloroanilino)-2-phenylethanol (CID 11379636) is 2-(4-chloroanilino)-2-phenylethanol.
What is the SMILES notation for 2-(4-chloroanilino)-2-phenylethanol?
The canonical SMILES for 2-(4-chloroanilino)-2-phenylethanol is OCC(Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chloroanilino)-2-phenylethanol?
The InChIKey is WIFSFRPDTGPRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-12-6-8-13(9-7-12)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2.
What are the key properties of 2-(4-chloroanilino)-2-phenylethanol?
2-(4-chloroanilino)-2-phenylethanol has a molecular weight of 247.73 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-phenylethanol is sourced from PubChem (CID 11379636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).