1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine

C17H18F3N — CID 82909863

IUPAC1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F3N/c1-2-21-15(9-12-3-6-14(18)7-4-12)10-13-5-8-16(19)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyBMNFJOXTKOTGAX-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.87
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine

1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (PubChem CID 82909863) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
PubChem CID82909863
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F3N/c1-2-21-15(9-12-3-6-14(18)7-4-12)10-13-5-8-16(19)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyBMNFJOXTKOTGAX-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115849967
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
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1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (CID 82909863) is 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is CCNC(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The InChIKey is BMNFJOXTKOTGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-21-15(9-12-3-6-14(18)7-4-12)10-13-5-8-16(19)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 82909863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).