1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine

C16H17BrClN — CID 63414830

IUPAC1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H17BrClN/c1-2-19-16(14-8-3-4-9-15(14)17)11-12-6-5-7-13(18)10-12/h3-10,16,19H,2,11H2,1H3
InChIKeyDESDFSNCHIPMDK-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.00
Rot. Bonds5

About 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine

1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine (PubChem CID 63414830) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
PubChem CID63414830
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H17BrClN/c1-2-19-16(14-8-3-4-9-15(14)17)11-12-6-5-7-13(18)10-12/h3-10,16,19H,2,11H2,1H3
InChIKeyDESDFSNCHIPMDK-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
CID 107945002
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
1-bromo-2-[1-chloro-3-(3-chlorophenyl)propan-2-yl]benzene
CID 79454332
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine (CID 63414830) is 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The InChIKey is DESDFSNCHIPMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-2-19-16(14-8-3-4-9-15(14)17)11-12-6-5-7-13(18)10-12/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine has a molecular weight of 338.68 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63414830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).