N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine

C15H14BrCl2N — CID 43492861

IUPACN-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrCl2N/c1-2-19-15(11-5-3-4-6-12(11)16)10-7-8-13(17)14(18)9-10/h3-9,15,19H,2H2,1H3
InChIKeyIIOUHNKJFDNLCO-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.45
Rot. Bonds4

About N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine

N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine (PubChem CID 43492861) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
PubChem CID43492861
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC NameN-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrCl2N/c1-2-19-15(11-5-3-4-6-12(11)16)10-7-8-13(17)14(18)9-10/h3-9,15,19H,2H2,1H3
InChIKeyIIOUHNKJFDNLCO-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(4-bromothiophen-3-yl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 81491587
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine (CID 43492861) is N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is IIOUHNKJFDNLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-2-19-15(11-5-3-4-6-12(11)16)10-7-8-13(17)14(18)9-10/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine?
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43492861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).