3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol

C22H24N2O — CID 9263275

IUPAC3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol
SMILESOCCCNCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c25-17-7-16-23-18-19-12-14-22(15-13-19)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15,23,25H,7,16-18H2
InChIKeyXDBUTLHMCHHUGS-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.63
Rot. Bonds8

About 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol

3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol (PubChem CID 9263275) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol
PubChem CID9263275
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol
SMILESOCCCNCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c25-17-7-16-23-18-19-12-14-22(15-13-19)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15,23,25H,7,16-18H2
InChIKeyXDBUTLHMCHHUGS-UHFFFAOYSA-N
XLogP4.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol (CID 9263275) is 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol is OCCCNCc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol?
The InChIKey is XDBUTLHMCHHUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-17-7-16-23-18-19-12-14-22(15-13-19)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15,23,25H,7,16-18H2.
What are the key properties of 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol?
3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol has a molecular weight of 332.45 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 9263275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).