2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine

C14H12BrCl2N — CID 55225085

IUPAC2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12BrCl2N/c15-11-3-1-2-9(4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14H,5,18H2
InChIKeyOXGJDHBFDTUGCC-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.00
Rot. Bonds3

About 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine

2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine (PubChem CID 55225085) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
PubChem CID55225085
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12BrCl2N/c15-11-3-1-2-9(4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14H,5,18H2
InChIKeyOXGJDHBFDTUGCC-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.07
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine (CID 55225085) is 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine is NC(Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine?
The InChIKey is OXGJDHBFDTUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c15-11-3-1-2-9(4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14H,5,18H2.
What are the key properties of 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine?
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine has a molecular weight of 345.07 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 55225085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).