4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol

C17H21NO3 — CID 83972582

IUPAC4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
SMILESCOc1cccc(C(CN)Cc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C17H21NO3/c1-20-15-5-3-4-13(10-15)14(11-18)8-12-6-7-16(19)17(9-12)21-2/h3-7,9-10,14,19H,8,11,18H2,1-2H3
InChIKeyXKIFVHDXMZFRQR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.69
Rot. Bonds6

About 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol

4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol (PubChem CID 83972582) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
PubChem CID83972582
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
SMILESCOc1cccc(C(CN)Cc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C17H21NO3/c1-20-15-5-3-4-13(10-15)14(11-18)8-12-6-7-16(19)17(9-12)21-2/h3-7,9-10,14,19H,8,11,18H2,1-2H3
InChIKeyXKIFVHDXMZFRQR-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-2-(3-methoxyphenyl)propyl]-2-bromophenol
CID 83972592
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
4-[3-amino-2-(3-methoxyphenyl)propyl]benzoic acid
CID 82139721
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 117242945

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol?
The IUPAC name of 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol (CID 83972582) is 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol is COc1cccc(C(CN)Cc2ccc(O)c(OC)c2)c1.
What is the InChIKey of 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol?
The InChIKey is XKIFVHDXMZFRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-15-5-3-4-13(10-15)14(11-18)8-12-6-7-16(19)17(9-12)21-2/h3-7,9-10,14,19H,8,11,18H2,1-2H3.
What are the key properties of 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol?
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol is sourced from PubChem (CID 83972582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).