2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine

C21H19F2NO — CID 83973683

IUPAC2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
SMILESNCC(Cc1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2NO/c22-20-10-9-16(13-21(20)23)17(14-24)11-15-5-4-8-19(12-15)25-18-6-2-1-3-7-18/h1-10,12-13,17H,11,14,24H2
InChIKeyNCDBBUUDBHVWKQ-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.04
Rot. Bonds6

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

2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine (PubChem CID 83973683) has the molecular formula C21H19F2NO and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
PubChem CID83973683
Molecular FormulaC21H19F2NO
Molecular Weight339.39 g/mol
Exact Mass339.14
IUPAC Name2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
SMILESNCC(Cc1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2NO/c22-20-10-9-16(13-21(20)23)17(14-24)11-15-5-4-8-19(12-15)25-18-6-2-1-3-7-18/h1-10,12-13,17H,11,14,24H2
InChIKeyNCDBBUUDBHVWKQ-UHFFFAOYSA-N
XLogP5.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973445
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine (CID 83973683) is 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine is NCC(Cc1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is NCDBBUUDBHVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO/c22-20-10-9-16(13-21(20)23)17(14-24)11-15-5-4-8-19(12-15)25-18-6-2-1-3-7-18/h1-10,12-13,17H,11,14,24H2.
What are the key properties of 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine?
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine has a molecular weight of 339.39 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).