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

C14H12BrCl2N — CID 107308364

IUPAC1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H12BrCl2N/c15-11-5-1-3-9(7-11)13(18)8-10-4-2-6-12(16)14(10)17/h1-7,13H,8,18H2
InChIKeyNNXONMCXMGMLAU-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.00
Rot. Bonds3

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

1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine (PubChem CID 107308364) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
PubChem CID107308364
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H12BrCl2N/c15-11-5-1-3-9(7-11)13(18)8-10-4-2-6-12(16)14(10)17/h1-7,13H,8,18H2
InChIKeyNNXONMCXMGMLAU-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-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 107974218
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
2-(2,3-dichlorophenyl)-1-quinoxalin-6-ylethanamine
CID 107308633
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 107312036
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312305
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine (CID 107308364) is 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine is NC(Cc1cccc(Cl)c1Cl)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine?
The InChIKey is NNXONMCXMGMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c15-11-5-1-3-9(7-11)13(18)8-10-4-2-6-12(16)14(10)17/h1-7,13H,8,18H2.
What are the key properties of 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine?
1-(3-bromophenyl)-2-(2,3-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 1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 107308364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).