4-(1-phenylpropylamino)phenol

C15H17NO — CID 43742837

IUPAC4-(1-phenylpropylamino)phenol
SMILESCCC(Nc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-2-15(12-6-4-3-5-7-12)16-13-8-10-14(17)11-9-13/h3-11,15-17H,2H2,1H3
InChIKeyLJLYJUPPYHKNAS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.96
Rot. Bonds4

About 4-(1-phenylpropylamino)phenol

4-(1-phenylpropylamino)phenol (PubChem CID 43742837) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1-phenylpropylamino)phenol.

Molecular Properties

Compound Name4-(1-phenylpropylamino)phenol
PubChem CID43742837
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(1-phenylpropylamino)phenol
SMILESCCC(Nc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-2-15(12-6-4-3-5-7-12)16-13-8-10-14(17)11-9-13/h3-11,15-17H,2H2,1H3
InChIKeyLJLYJUPPYHKNAS-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-phenylpropylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-phenylpropylamino)phenyl]ethanone
CID 114468209
4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
4-[1-(3-phenylbutylamino)propyl]phenol
CID 62988194
4-(pentan-3-ylamino)phenol
CID 43742811
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
3-[1-(4-hydroxyphenyl)propylamino]benzamide
CID 43202878
4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141
N-(1-phenylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 43111184
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropylamino)phenol?
The IUPAC name of 4-(1-phenylpropylamino)phenol (CID 43742837) is 4-(1-phenylpropylamino)phenol.
What is the SMILES notation for 4-(1-phenylpropylamino)phenol?
The canonical SMILES for 4-(1-phenylpropylamino)phenol is CCC(Nc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-(1-phenylpropylamino)phenol?
The InChIKey is LJLYJUPPYHKNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-15(12-6-4-3-5-7-12)16-13-8-10-14(17)11-9-13/h3-11,15-17H,2H2,1H3.
What are the key properties of 4-(1-phenylpropylamino)phenol?
4-(1-phenylpropylamino)phenol has a molecular weight of 227.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropylamino)phenol is sourced from PubChem (CID 43742837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).