2-[[4-(4-propylphenyl)anilino]methyl]phenol

C22H23NO — CID 122182756

IUPAC2-[[4-(4-propylphenyl)anilino]methyl]phenol
SMILESCCCc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C22H23NO/c1-2-5-17-8-10-18(11-9-17)19-12-14-21(15-13-19)23-16-20-6-3-4-7-22(20)24/h3-4,6-15,23-24H,2,5,16H2,1H3
InChIKeyJJFASWDWBKOQBZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.62
Rot. Bonds6

About 2-[[4-(4-propylphenyl)anilino]methyl]phenol

2-[[4-(4-propylphenyl)anilino]methyl]phenol (PubChem CID 122182756) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[[4-(4-propylphenyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-propylphenyl)anilino]methyl]phenol
PubChem CID122182756
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-[[4-(4-propylphenyl)anilino]methyl]phenol
SMILESCCCc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C22H23NO/c1-2-5-17-8-10-18(11-9-17)19-12-14-21(15-13-19)23-16-20-6-3-4-7-22(20)24/h3-4,6-15,23-24H,2,5,16H2,1H3
InChIKeyJJFASWDWBKOQBZ-UHFFFAOYSA-N
XLogP5.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-propylphenyl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(4-propylphenyl)anilino]methyl]phenol (CID 122182756) is 2-[[4-(4-propylphenyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(4-propylphenyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(4-propylphenyl)anilino]methyl]phenol is CCCc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[[4-(4-propylphenyl)anilino]methyl]phenol?
The InChIKey is JJFASWDWBKOQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-5-17-8-10-18(11-9-17)19-12-14-21(15-13-19)23-16-20-6-3-4-7-22(20)24/h3-4,6-15,23-24H,2,5,16H2,1H3.
What are the key properties of 2-[[4-(4-propylphenyl)anilino]methyl]phenol?
2-[[4-(4-propylphenyl)anilino]methyl]phenol has a molecular weight of 317.43 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-propylphenyl)anilino]methyl]phenol is sourced from PubChem (CID 122182756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).