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

C14H12BrCl2N — CID 63412142

IUPAC2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2N/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,14H,7,18H2
InChIKeyOWICRXUPOMUWIK-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.00
Rot. Bonds3

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

2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 63412142) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID63412142
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2N/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,14H,7,18H2
InChIKeyOWICRXUPOMUWIK-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

1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63531253
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66041720
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine (CID 63412142) is 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine is NC(Cc1cccc(Br)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is OWICRXUPOMUWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,14H,7,18H2.
What are the key properties of 2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
2-(3-bromophenyl)-1-(2,5-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-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 63412142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).