4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol

C18H23NO2 — CID 43720375

IUPAC4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-18(15-7-11-17(21-3)12-8-15)19-13(2)14-5-9-16(20)10-6-14/h5-13,18-20H,4H2,1-3H3
InChIKeyWDZIXJMHNGXBHY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.20
Rot. Bonds6

About 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol

4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol (PubChem CID 43720375) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
PubChem CID43720375
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-18(15-7-11-17(21-3)12-8-15)19-13(2)14-5-9-16(20)10-6-14/h5-13,18-20H,4H2,1-3H3
InChIKeyWDZIXJMHNGXBHY-UHFFFAOYSA-N
XLogP4.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol?
The IUPAC name of 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol (CID 43720375) is 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol is CCC(NC(C)c1ccc(O)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol?
The InChIKey is WDZIXJMHNGXBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-18(15-7-11-17(21-3)12-8-15)19-13(2)14-5-9-16(20)10-6-14/h5-13,18-20H,4H2,1-3H3.
What are the key properties of 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol?
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol is sourced from PubChem (CID 43720375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).