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

C15H14BrCl2N — CID 63413138

IUPACN-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14BrCl2N/c1-2-19-15(10-5-3-6-11(16)9-10)12-7-4-8-13(17)14(12)18/h3-9,15,19H,2H2,1H3
InChIKeyJGRMCJMNTSAMFN-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.45
Rot. Bonds4

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

N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 63413138) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID63413138
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC NameN-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14BrCl2N/c1-2-19-15(10-5-3-6-11(16)9-10)12-7-4-8-13(17)14(12)18/h3-9,15,19H,2H2,1H3
InChIKeyJGRMCJMNTSAMFN-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-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(3-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302655
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851464
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (CID 63413138) is N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is CCNC(c1cccc(Br)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is JGRMCJMNTSAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-2-19-15(10-5-3-6-11(16)9-10)12-7-4-8-13(17)14(12)18/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
N-[(3-bromophenyl)-(2,3-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-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 63413138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).