N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline

C13H12BrClN2 — CID 81262192

IUPACN-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
SMILESNc1ccccc1CNc1ccc(Cl)cc1Br
InChIInChI=1S/C13H12BrClN2/c14-11-7-10(15)5-6-13(11)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8,16H2
InChIKeyRMZUOXQMNDDOGI-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.30
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline

N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline (PubChem CID 81262192) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
PubChem CID81262192
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC NameN-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
SMILESNc1ccccc1CNc1ccc(Cl)cc1Br
InChIInChI=1S/C13H12BrClN2/c14-11-7-10(15)5-6-13(11)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8,16H2
InChIKeyRMZUOXQMNDDOGI-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
2-bromo-4-chloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 81263184
2-[(2-chloroanilino)methyl]aniline
CID 66387029
N-[(2-aminophenyl)methyl]-5-chloro-2-nitroaniline
CID 66386269
2-[2-[(2-bromo-4-chloroanilino)methyl]phenoxy]acetonitrile
CID 81262587
N-[(2-bromophenyl)methyl]-4-chloro-2-iodoaniline
CID 107631624
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
CID 62369100
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
CID 107630212

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline (CID 81262192) is N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline is Nc1ccccc1CNc1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline?
The InChIKey is RMZUOXQMNDDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c14-11-7-10(15)5-6-13(11)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline?
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline has a molecular weight of 311.61 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline is sourced from PubChem (CID 81262192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).