4-[1-(3-propoxyanilino)propyl]phenol

C18H23NO2 — CID 43693694

IUPAC4-[1-(3-propoxyanilino)propyl]phenol
SMILESCCCOc1cccc(NC(CC)c2ccc(O)cc2)c1
InChIInChI=1S/C18H23NO2/c1-3-12-21-17-7-5-6-15(13-17)19-18(4-2)14-8-10-16(20)11-9-14/h5-11,13,18-20H,3-4,12H2,1-2H3
InChIKeyZLQITKKJKVTRJX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.74
Rot. Bonds7

About 4-[1-(3-propoxyanilino)propyl]phenol

4-[1-(3-propoxyanilino)propyl]phenol (PubChem CID 43693694) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[1-(3-propoxyanilino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(3-propoxyanilino)propyl]phenol
PubChem CID43693694
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[1-(3-propoxyanilino)propyl]phenol
SMILESCCCOc1cccc(NC(CC)c2ccc(O)cc2)c1
InChIInChI=1S/C18H23NO2/c1-3-12-21-17-7-5-6-15(13-17)19-18(4-2)14-8-10-16(20)11-9-14/h5-11,13,18-20H,3-4,12H2,1-2H3
InChIKeyZLQITKKJKVTRJX-UHFFFAOYSA-N
XLogP4.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
2-[1-(3-propoxyanilino)ethyl]benzene-1,4-diol
CID 43693728
3-[1-(4-hydroxyphenyl)propylamino]benzamide
CID 43202878
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
2-[3-[1-(4-methylphenyl)propylamino]phenoxy]acetonitrile
CID 43721247
N-(2-ethylbutyl)-3-propoxyaniline
CID 43693684
3-[1-(4-methylphenyl)propylamino]phenol
CID 43207013
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
2-(1-phenylpropylamino)-N-(3-propoxyphenyl)acetamide
CID 54845702
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-propoxyanilino)propyl]phenol?
The IUPAC name of 4-[1-(3-propoxyanilino)propyl]phenol (CID 43693694) is 4-[1-(3-propoxyanilino)propyl]phenol.
What is the SMILES notation for 4-[1-(3-propoxyanilino)propyl]phenol?
The canonical SMILES for 4-[1-(3-propoxyanilino)propyl]phenol is CCCOc1cccc(NC(CC)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[1-(3-propoxyanilino)propyl]phenol?
The InChIKey is ZLQITKKJKVTRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-12-21-17-7-5-6-15(13-17)19-18(4-2)14-8-10-16(20)11-9-14/h5-11,13,18-20H,3-4,12H2,1-2H3.
What are the key properties of 4-[1-(3-propoxyanilino)propyl]phenol?
4-[1-(3-propoxyanilino)propyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-propoxyanilino)propyl]phenol is sourced from PubChem (CID 43693694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).