N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline

C14H15BrN2 — CID 107630212

IUPACN-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
SMILESCc1c(Br)cccc1NCc1ccccc1N
InChIInChI=1S/C14H15BrN2/c1-10-12(15)6-4-8-14(10)17-9-11-5-2-3-7-13(11)16/h2-8,17H,9,16H2,1H3
InChIKeyAJTUVWDCBJUJLE-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.95
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline

N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline (PubChem CID 107630212) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
PubChem CID107630212
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
SMILESCc1c(Br)cccc1NCc1ccccc1N
InChIInChI=1S/C14H15BrN2/c1-10-12(15)6-4-8-14(10)17-9-11-5-2-3-7-13(11)16/h2-8,17H,9,16H2,1H3
InChIKeyAJTUVWDCBJUJLE-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.95
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]-2-chloro-3-methylaniline
CID 114251754
3-bromo-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107630419
3-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methylaniline
CID 107629769
2-[2-[(3-bromo-2-methylanilino)methyl]phenoxy]acetonitrile
CID 107629996
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
2-[(2-chloroanilino)methyl]aniline
CID 66387029
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
CID 81262192
2-[(3-bromo-2-methylanilino)methyl]-6-ethoxyphenol
CID 103818301
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 107630131
3-bromo-N-[(2-fluoro-3-nitrophenyl)methyl]-2-methylaniline
CID 107633811
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline (CID 107630212) is N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline is Cc1c(Br)cccc1NCc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline?
The InChIKey is AJTUVWDCBJUJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-12(15)6-4-8-14(10)17-9-11-5-2-3-7-13(11)16/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline?
N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline has a molecular weight of 291.19 g/mol, XLogP of 3.95, 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]-3-bromo-2-methylaniline is sourced from PubChem (CID 107630212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).