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

C18H22FNO — CID 83973653

IUPAC3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cc(C)cc(C)c2)cc1F
InChIInChI=1S/C18H22FNO/c1-12-6-13(2)8-14(7-12)9-16(11-20)15-4-5-18(21-3)17(19)10-15/h4-8,10,16H,9,11,20H2,1-3H3
InChIKeyIQCWCWPUOASDEU-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.74
Rot. Bonds5

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

3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 83973653) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID83973653
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cc(C)cc(C)c2)cc1F
InChIInChI=1S/C18H22FNO/c1-12-6-13(2)8-14(7-12)9-16(11-20)15-4-5-18(21-3)17(19)10-15/h4-8,10,16H,9,11,20H2,1-3H3
InChIKeyIQCWCWPUOASDEU-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine (CID 83973653) is 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine is COc1ccc(C(CN)Cc2cc(C)cc(C)c2)cc1F.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is IQCWCWPUOASDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-6-13(2)8-14(7-12)9-16(11-20)15-4-5-18(21-3)17(19)10-15/h4-8,10,16H,9,11,20H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine?
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).