2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline

C15H16BrClN2 — CID 115557065

IUPAC2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(Br)c(N)c1
InChIInChI=1S/C15H16BrClN2/c1-19(9-11-2-5-13(17)6-3-11)10-12-4-7-14(16)15(18)8-12/h2-8H,9-10,18H2,1H3
InChIKeyXFXJCFYDGRZQKU-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.32
Rot. Bonds4

About 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline

2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline (PubChem CID 115557065) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
PubChem CID115557065
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(Br)c(N)c1
InChIInChI=1S/C15H16BrClN2/c1-19(9-11-2-5-13(17)6-3-11)10-12-4-7-14(16)15(18)8-12/h2-8H,9-10,18H2,1H3
InChIKeyXFXJCFYDGRZQKU-UHFFFAOYSA-N
XLogP4.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[[(4-fluorophenyl)methyl-methylamino]methyl]aniline
CID 115557025
2-bromo-5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]aniline
CID 113335086
2-bromo-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 115557082
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline
CID 115557165
2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 115557204
2-bromo-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 113335112
2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 113335088
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 55046282

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline (CID 115557065) is 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline is CN(Cc1ccc(Cl)cc1)Cc1ccc(Br)c(N)c1.
What is the InChIKey of 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline?
The InChIKey is XFXJCFYDGRZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-19(9-11-2-5-13(17)6-3-11)10-12-4-7-14(16)15(18)8-12/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline?
2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline has a molecular weight of 339.66 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 115557065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).