3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine

C17H18BrClFN — CID 79435741

IUPAC3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(Br)ccc1F)c1ccccc1Cl
InChIInChI=1S/C17H18BrClFN/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-10-14(18)7-8-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeySHRNGRKKZRRZRR-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.18
Rot. Bonds6

About 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine

3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine (PubChem CID 79435741) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
PubChem CID79435741
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(Br)ccc1F)c1ccccc1Cl
InChIInChI=1S/C17H18BrClFN/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-10-14(18)7-8-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeySHRNGRKKZRRZRR-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79437285
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 107897542
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine (CID 79435741) is 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1cc(Br)ccc1F)c1ccccc1Cl.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is SHRNGRKKZRRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-10-14(18)7-8-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine?
3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79435741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).