2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol

C18H23NO2 — CID 62304525

IUPAC2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)c(OC)c1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-16(14-8-6-5-7-9-14)19-13(2)15-10-11-17(20)18(12-15)21-3/h5-13,16,19-20H,4H2,1-3H3
InChIKeyJVLQHSLBBFNBDO-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.20
Rot. Bonds6

About 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol

2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol (PubChem CID 62304525) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
PubChem CID62304525
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)c(OC)c1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-16(14-8-6-5-7-9-14)19-13(2)15-10-11-17(20)18(12-15)21-3/h5-13,16,19-20H,4H2,1-3H3
InChIKeyJVLQHSLBBFNBDO-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-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
4-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81378019
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol (CID 62304525) is 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol is CCC(NC(C)c1ccc(O)c(OC)c1)c1ccccc1.
What is the InChIKey of 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol?
The InChIKey is JVLQHSLBBFNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-16(14-8-6-5-7-9-14)19-13(2)15-10-11-17(20)18(12-15)21-3/h5-13,16,19-20H,4H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol?
2-methoxy-4-[1-(1-phenylpropylamino)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 2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol is sourced from PubChem (CID 62304525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).