2-(4-phenylphenyl)-4-(propylamino)butan-2-ol

C19H25NO — CID 57002234

IUPAC2-(4-phenylphenyl)-4-(propylamino)butan-2-ol
SMILESCCCNCCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-14-20-15-13-19(2,21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,20-21H,3,13-15H2,1-2H3
InChIKeyVIYLNSIGYKDUNX-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.95
Rot. Bonds7

About 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol

2-(4-phenylphenyl)-4-(propylamino)butan-2-ol (PubChem CID 57002234) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-(propylamino)butan-2-ol
PubChem CID57002234
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-(4-phenylphenyl)-4-(propylamino)butan-2-ol
SMILESCCCNCCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-14-20-15-13-19(2,21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,20-21H,3,13-15H2,1-2H3
InChIKeyVIYLNSIGYKDUNX-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol?
The IUPAC name of 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol (CID 57002234) is 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol.
What is the SMILES notation for 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol?
The canonical SMILES for 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol is CCCNCCC(C)(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol?
The InChIKey is VIYLNSIGYKDUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-14-20-15-13-19(2,21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,20-21H,3,13-15H2,1-2H3.
What are the key properties of 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol?
2-(4-phenylphenyl)-4-(propylamino)butan-2-ol has a molecular weight of 283.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-(propylamino)butan-2-ol is sourced from PubChem (CID 57002234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).