2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine

C17H20FNO — CID 82139339

IUPAC2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1C(CN)Cc1ccc(C)cc1
InChIInChI=1S/C17H20FNO/c1-12-3-5-13(6-4-12)9-14(11-19)16-10-15(18)7-8-17(16)20-2/h3-8,10,14H,9,11,19H2,1-2H3
InChIKeyBJXBNEKCVKDFPS-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.43
Rot. Bonds5

About 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine

2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 82139339) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
PubChem CID82139339
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1C(CN)Cc1ccc(C)cc1
InChIInChI=1S/C17H20FNO/c1-12-3-5-13(6-4-12)9-14(11-19)16-10-15(18)7-8-17(16)20-2/h3-8,10,14H,9,11,19H2,1-2H3
InChIKeyBJXBNEKCVKDFPS-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
3-[3-amino-2-(5-fluoro-2-methoxyphenyl)propyl]benzonitrile
CID 82140996
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine (CID 82139339) is 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine is COc1ccc(F)cc1C(CN)Cc1ccc(C)cc1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is BJXBNEKCVKDFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-3-5-13(6-4-12)9-14(11-19)16-10-15(18)7-8-17(16)20-2/h3-8,10,14H,9,11,19H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 82139339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).