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

C17H19F2NO2 — CID 83973696

IUPAC2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(OC)c(CC(CN)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H19F2NO2/c1-21-14-4-6-17(22-2)12(8-14)7-13(10-20)11-3-5-15(18)16(19)9-11/h3-6,8-9,13H,7,10,20H2,1-2H3
InChIKeyXPQXFGFNOZCUSX-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.27
Rot. Bonds6

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

2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine (PubChem CID 83973696) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
PubChem CID83973696
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(OC)c(CC(CN)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H19F2NO2/c1-21-14-4-6-17(22-2)12(8-14)7-13(10-20)11-3-5-15(18)16(19)9-11/h3-6,8-9,13H,7,10,20H2,1-2H3
InChIKeyXPQXFGFNOZCUSX-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
CID 79441367
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83975308
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977036
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
CID 82141576

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine (CID 83973696) is 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine is COc1ccc(OC)c(CC(CN)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
The InChIKey is XPQXFGFNOZCUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c1-21-14-4-6-17(22-2)12(8-14)7-13(10-20)11-3-5-15(18)16(19)9-11/h3-6,8-9,13H,7,10,20H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine has a molecular weight of 307.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).