2-anilino-1-phenylpropan-1-ol

C15H17NO — CID 577489

IUPAC2-anilino-1-phenylpropan-1-ol
SMILESCC(Nc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,15-17H,1H3
InChIKeyUKXFKBBPRLTMNH-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.22
Rot. Bonds4

About 2-anilino-1-phenylpropan-1-ol

2-anilino-1-phenylpropan-1-ol (PubChem CID 577489) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-anilino-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-anilino-1-phenylpropan-1-ol
PubChem CID577489
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-anilino-1-phenylpropan-1-ol
SMILESCC(Nc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,15-17H,1H3
InChIKeyUKXFKBBPRLTMNH-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenylpropan-1-ol?
The IUPAC name of 2-anilino-1-phenylpropan-1-ol (CID 577489) is 2-anilino-1-phenylpropan-1-ol.
What is the SMILES notation for 2-anilino-1-phenylpropan-1-ol?
The canonical SMILES for 2-anilino-1-phenylpropan-1-ol is CC(Nc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-anilino-1-phenylpropan-1-ol?
The InChIKey is UKXFKBBPRLTMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,15-17H,1H3.
What are the key properties of 2-anilino-1-phenylpropan-1-ol?
2-anilino-1-phenylpropan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenylpropan-1-ol is sourced from PubChem (CID 577489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).