2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol

C17H21NO3 — CID 170892877

IUPAC2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
SMILESCOc1ccc(-c2ccc(CC(N)CO)cc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-20-16-8-7-14(10-17(16)21-2)13-5-3-12(4-6-13)9-15(18)11-19/h3-8,10,15,19H,9,11,18H2,1-2H3
InChIKeyZUEZIUILXPKHJR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.23
Rot. Bonds6

About 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol

2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol (PubChem CID 170892877) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
PubChem CID170892877
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
SMILESCOc1ccc(-c2ccc(CC(N)CO)cc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-20-16-8-7-14(10-17(16)21-2)13-5-3-12(4-6-13)9-15(18)11-19/h3-8,10,15,19H,9,11,18H2,1-2H3
InChIKeyZUEZIUILXPKHJR-UHFFFAOYSA-N
XLogP2.23
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
(2S)-2-amino-3-[4-[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]phenyl]propan-1-ol
CID 24894879
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893059
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
CID 170891770
[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652316
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol (CID 170892877) is 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol is COc1ccc(-c2ccc(CC(N)CO)cc2)cc1OC.
What is the InChIKey of 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol?
The InChIKey is ZUEZIUILXPKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-16-8-7-14(10-17(16)21-2)13-5-3-12(4-6-13)9-15(18)11-19/h3-8,10,15,19H,9,11,18H2,1-2H3.
What are the key properties of 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol?
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol is sourced from PubChem (CID 170892877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).