3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine

C17H19BrFN — CID 79440215

IUPAC3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN/c1-2-20-12-15(14-6-4-8-17(19)11-14)9-13-5-3-7-16(18)10-13/h3-8,10-11,15,20H,2,9,12H2,1H3
InChIKeyPABGVUSUQAXYIL-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.52
Rot. Bonds6

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

3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine (PubChem CID 79440215) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
PubChem CID79440215
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN/c1-2-20-12-15(14-6-4-8-17(19)11-14)9-13-5-3-7-16(18)10-13/h3-8,10-11,15,20H,2,9,12H2,1H3
InChIKeyPABGVUSUQAXYIL-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine (CID 79440215) is 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine is CCNCC(Cc1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine?
The InChIKey is PABGVUSUQAXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-20-12-15(14-6-4-8-17(19)11-14)9-13-5-3-7-16(18)10-13/h3-8,10-11,15,20H,2,9,12H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine?
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79440215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).