(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine

C15H14Br2ClN — CID 83230762

IUPAC(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H14Br2ClN/c1-10(12-4-2-3-5-13(12)16)19-9-11-6-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyMLZAIVMKSFHHGO-SNVBAGLBSA-N
MW403.55 g/mol
LogP5.72
Rot. Bonds4

About (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine

(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine (PubChem CID 83230762) has the molecular formula C15H14Br2ClN and a molecular weight of 403.55 g/mol. Its IUPAC name is (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
PubChem CID83230762
Molecular FormulaC15H14Br2ClN
Molecular Weight403.55 g/mol
Exact Mass400.92
IUPAC Name(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H14Br2ClN/c1-10(12-4-2-3-5-13(12)16)19-9-11-6-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyMLZAIVMKSFHHGO-SNVBAGLBSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 81382922
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
N-[(3-bromo-4-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 83235526
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 51675565
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 83230500
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114167935

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine (CID 83230762) is (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine is C[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccccc1Br.
What is the InChIKey of (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The InChIKey is MLZAIVMKSFHHGO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Br2ClN/c1-10(12-4-2-3-5-13(12)16)19-9-11-6-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine?
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine has a molecular weight of 403.55 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine is sourced from PubChem (CID 83230762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).