2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine

C17H20FNO2 — CID 63273344

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H20FNO2/c1-17(19,11-12-4-7-14(20-2)8-5-12)13-6-9-16(21-3)15(18)10-13/h4-10H,11,19H2,1-3H3
InChIKeyZGSLSZBOXUQIES-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.26
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine

2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 63273344) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
PubChem CID63273344
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H20FNO2/c1-17(19,11-12-4-7-14(20-2)8-5-12)13-6-9-16(21-3)15(18)10-13/h4-10H,11,19H2,1-3H3
InChIKeyZGSLSZBOXUQIES-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
CID 79008004
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
CID 79702014
1-(4-methoxyphenyl)-2-(6-methyl-3-pyridinyl)propan-2-amine
CID 55169860
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313
2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
CID 62620543
1-(3-bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 63273009

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine (CID 63273344) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)(N)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is ZGSLSZBOXUQIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-17(19,11-12-4-7-14(20-2)8-5-12)13-6-9-16(21-3)15(18)10-13/h4-10H,11,19H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine?
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 63273344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).