3-[2-(4-aminophenyl)propyl]phenol

C15H17NO — CID 70385210

IUPAC3-[2-(4-aminophenyl)propyl]phenol
SMILESCC(Cc1cccc(O)c1)c1ccc(N)cc1
InChIInChI=1S/C15H17NO/c1-11(13-5-7-14(16)8-6-13)9-12-3-2-4-15(17)10-12/h2-8,10-11,17H,9,16H2,1H3
InChIKeyLMRUVVKELOCBSI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.32
Rot. Bonds3

About 3-[2-(4-aminophenyl)propyl]phenol

3-[2-(4-aminophenyl)propyl]phenol (PubChem CID 70385210) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)propyl]phenol.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)propyl]phenol
PubChem CID70385210
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-[2-(4-aminophenyl)propyl]phenol
SMILESCC(Cc1cccc(O)c1)c1ccc(N)cc1
InChIInChI=1S/C15H17NO/c1-11(13-5-7-14(16)8-6-13)9-12-3-2-4-15(17)10-12/h2-8,10-11,17H,9,16H2,1H3
InChIKeyLMRUVVKELOCBSI-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
CID 67706104
3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride
CID 70614947
(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 124549291
3-[2-(4-prop-2-enoxyphenyl)propyl]phenol
CID 57048613
4-[1-(3-aminophenyl)propan-2-yl]benzoic acid
CID 67036774
3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734626
3-(2-sulfanylpropyl)phenol
CID 115013475
4-[(2R)-2-(3-aminophenyl)propyl]phenol
CID 174733885
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
5-(3-hydroxyphenyl)pentane-1,3,4-triol
CID 175541454

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)propyl]phenol?
The IUPAC name of 3-[2-(4-aminophenyl)propyl]phenol (CID 70385210) is 3-[2-(4-aminophenyl)propyl]phenol.
What is the SMILES notation for 3-[2-(4-aminophenyl)propyl]phenol?
The canonical SMILES for 3-[2-(4-aminophenyl)propyl]phenol is CC(Cc1cccc(O)c1)c1ccc(N)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)propyl]phenol?
The InChIKey is LMRUVVKELOCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(13-5-7-14(16)8-6-13)9-12-3-2-4-15(17)10-12/h2-8,10-11,17H,9,16H2,1H3.
What are the key properties of 3-[2-(4-aminophenyl)propyl]phenol?
3-[2-(4-aminophenyl)propyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)propyl]phenol is sourced from PubChem (CID 70385210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).