2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol

C19H25NO3 — CID 110902643

IUPAC2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol
SMILESCCC(Nc1ccc(CCO)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25NO3/c1-4-17(15-7-10-18(22-2)19(13-15)23-3)20-16-8-5-14(6-9-16)11-12-21/h5-10,13,17,20-21H,4,11-12H2,1-3H3
InChIKeyUXJOOKADJUEPJL-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.80
Rot. Bonds8

About 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol

2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol (PubChem CID 110902643) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol
PubChem CID110902643
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol
SMILESCCC(Nc1ccc(CCO)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25NO3/c1-4-17(15-7-10-18(22-2)19(13-15)23-3)20-16-8-5-14(6-9-16)11-12-21/h5-10,13,17,20-21H,4,11-12H2,1-3H3
InChIKeyUXJOOKADJUEPJL-UHFFFAOYSA-N
XLogP3.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine
CID 43539839
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-3-(4-ethylanilino)propan-1-one
CID 132592463
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
2-[1-(3,4-dimethoxyphenyl)propylamino]-2-ethylpropane-1,3-diol
CID 103935740
3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 132657824

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol (CID 110902643) is 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol is CCC(Nc1ccc(CCO)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol?
The InChIKey is UXJOOKADJUEPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-17(15-7-10-18(22-2)19(13-15)23-3)20-16-8-5-14(6-9-16)11-12-21/h5-10,13,17,20-21H,4,11-12H2,1-3H3.
What are the key properties of 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol?
2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol has a molecular weight of 315.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol is sourced from PubChem (CID 110902643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).