1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine

C17H18BrF2N — CID 62605376

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H18BrF2N/c1-2-21-15(10-12-5-3-4-6-17(12)20)11-13-9-14(19)7-8-16(13)18/h3-9,15,21H,2,10-11H2,1H3
InChIKeyIDQLTYRRCCMGEP-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.49
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine

1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (PubChem CID 62605376) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
PubChem CID62605376
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H18BrF2N/c1-2-21-15(10-12-5-3-4-6-17(12)20)11-13-9-14(19)7-8-16(13)18/h3-9,15,21H,2,10-11H2,1H3
InChIKeyIDQLTYRRCCMGEP-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 62603056
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105136708
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 62600577

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (CID 62605376) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is CCNC(Cc1ccccc1F)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is IDQLTYRRCCMGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-21-15(10-12-5-3-4-6-17(12)20)11-13-9-14(19)7-8-16(13)18/h3-9,15,21H,2,10-11H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 354.24 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62605376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).