2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine

C17H18BrCl2N — CID 107309793

IUPAC2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C17H18BrCl2N/c1-2-21-11-13(14-7-3-4-8-15(14)18)10-12-6-5-9-16(19)17(12)20/h3-9,13,21H,2,10-11H2,1H3
InChIKeyFACCDGUBTMDBNK-UHFFFAOYSA-N
MW387.15 g/mol
LogP5.69
Rot. Bonds6

About 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine

2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine (PubChem CID 107309793) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
PubChem CID107309793
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC Name2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C17H18BrCl2N/c1-2-21-11-13(14-7-3-4-8-15(14)18)10-12-6-5-9-16(19)17(12)20/h3-9,13,21H,2,10-11H2,1H3
InChIKeyFACCDGUBTMDBNK-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
CID 79436032
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 107897542
3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79437285
[1-(2-bromophenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107312609
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
CID 79435741
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 107309635
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570
2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
CID 106869613

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine (CID 107309793) is 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1cccc(Cl)c1Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is FACCDGUBTMDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-2-21-11-13(14-7-3-4-8-15(14)18)10-12-6-5-9-16(19)17(12)20/h3-9,13,21H,2,10-11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine?
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 387.15 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 107309793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).