2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine

C18H21F2NO3 — CID 83975169

IUPAC2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(CC(CN)c2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C18H21F2NO3/c1-22-16-7-11(8-17(23-2)18(16)24-3)6-12(10-21)14-5-4-13(19)9-15(14)20/h4-5,7-9,12H,6,10,21H2,1-3H3
InChIKeyJUAWQGCEZHJUJB-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.28
Rot. Bonds7

About 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine

2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine (PubChem CID 83975169) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
PubChem CID83975169
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(CC(CN)c2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C18H21F2NO3/c1-22-16-7-11(8-17(23-2)18(16)24-3)6-12(10-21)14-5-4-13(19)9-15(14)20/h4-5,7-9,12H,6,10,21H2,1-3H3
InChIKeyJUAWQGCEZHJUJB-UHFFFAOYSA-N
XLogP3.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 112539072
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
3-[3-amino-2-(5-fluoro-2-methoxyphenyl)propyl]benzonitrile
CID 82140996

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine (CID 83975169) is 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine is COc1cc(CC(CN)c2ccc(F)cc2F)cc(OC)c1OC.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine?
The InChIKey is JUAWQGCEZHJUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-22-16-7-11(8-17(23-2)18(16)24-3)6-12(10-21)14-5-4-13(19)9-15(14)20/h4-5,7-9,12H,6,10,21H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine?
2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine has a molecular weight of 337.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83975169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).