2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine

C14H13BrCl2N2 — CID 107466018

IUPAC2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13BrCl2N2/c1-19(14-7-11(16)4-5-13(14)18)8-9-2-3-10(15)6-12(9)17/h2-7H,8,18H2,1H3
InChIKeyFTQXYVYAFCBVIU-UHFFFAOYSA-N
MW360.08 g/mol
LogP4.97
Rot. Bonds3

About 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine

2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine (PubChem CID 107466018) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
PubChem CID107466018
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13BrCl2N2/c1-19(14-7-11(16)4-5-13(14)18)8-9-2-3-10(15)6-12(9)17/h2-7H,8,18H2,1H3
InChIKeyFTQXYVYAFCBVIU-UHFFFAOYSA-N
XLogP4.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 54.97
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

4-chloro-2-N-[(2-chloro-4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466084
2-N-[(5-bromothiophen-2-yl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466105
4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466083
4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466302
4-chloro-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)benzene-1,2-diamine
CID 107466001
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 115598263
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115598217

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine (CID 107466018) is 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine is CN(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1N.
What is the InChIKey of 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine?
The InChIKey is FTQXYVYAFCBVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-19(14-7-11(16)4-5-13(14)18)8-9-2-3-10(15)6-12(9)17/h2-7H,8,18H2,1H3.
What are the key properties of 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine?
2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine has a molecular weight of 360.08 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 107466018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).