3-(3-phenylpropylamino)phenol

C15H17NO — CID 28722963

IUPAC3-(3-phenylpropylamino)phenol
SMILESOc1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C15H17NO/c17-15-10-4-9-14(12-15)16-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,16-17H,5,8,11H2
InChIKeyQJIUGRAOCLLWHW-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.44
Rot. Bonds5

About 3-(3-phenylpropylamino)phenol

3-(3-phenylpropylamino)phenol (PubChem CID 28722963) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(3-phenylpropylamino)phenol.

Molecular Properties

Compound Name3-(3-phenylpropylamino)phenol
PubChem CID28722963
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(3-phenylpropylamino)phenol
SMILESOc1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C15H17NO/c17-15-10-4-9-14(12-15)16-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,16-17H,5,8,11H2
InChIKeyQJIUGRAOCLLWHW-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.44
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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Related Compounds

3-(2-phenylethylamino)phenol
CID 28722392
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 174622954
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
CID 82153989
1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
CID 43741934
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 67296624
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
CID 82153937

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropylamino)phenol?
The IUPAC name of 3-(3-phenylpropylamino)phenol (CID 28722963) is 3-(3-phenylpropylamino)phenol.
What is the SMILES notation for 3-(3-phenylpropylamino)phenol?
The canonical SMILES for 3-(3-phenylpropylamino)phenol is Oc1cccc(NCCCc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylpropylamino)phenol?
The InChIKey is QJIUGRAOCLLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15-10-4-9-14(12-15)16-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,16-17H,5,8,11H2.
What are the key properties of 3-(3-phenylpropylamino)phenol?
3-(3-phenylpropylamino)phenol has a molecular weight of 227.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropylamino)phenol is sourced from PubChem (CID 28722963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).