2-bromo-5-methylaniline;ethane

C9H14BrN — CID 170980783

IUPAC2-bromo-5-methylaniline;ethane
SMILESCC.Cc1ccc(Br)c(N)c1
InChIInChI=1S/C7H8BrN.C2H6/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4H,9H2,1H3;1-2H3
InChIKeyJOVLSFSMEJGKAK-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.37
Rot. Bonds

About 2-bromo-5-methylaniline;ethane

2-bromo-5-methylaniline;ethane (PubChem CID 170980783) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is 2-bromo-5-methylaniline;ethane.

Molecular Properties

Compound Name2-bromo-5-methylaniline;ethane
PubChem CID170980783
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Name2-bromo-5-methylaniline;ethane
SMILESCC.Cc1ccc(Br)c(N)c1
InChIInChI=1S/C7H8BrN.C2H6/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4H,9H2,1H3;1-2H3
InChIKeyJOVLSFSMEJGKAK-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-5-methylaniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-bromo-3-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 107618565
2-bromo-1,4-dimethylbenzene;ethane
CID 142028009
2-bromo-5-[(4-methylphenyl)sulfanylmethyl]aniline
CID 115558316
2-bromo-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 107813631
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline
CID 86037301
2,4-dimethylaniline;methanol
CID 70633605
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
2-N-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
2-bromo-5-[(4-methylphenyl)sulfonylmethyl]aniline
CID 115558413

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylaniline;ethane?
The IUPAC name of 2-bromo-5-methylaniline;ethane (CID 170980783) is 2-bromo-5-methylaniline;ethane.
What is the SMILES notation for 2-bromo-5-methylaniline;ethane?
The canonical SMILES for 2-bromo-5-methylaniline;ethane is CC.Cc1ccc(Br)c(N)c1.
What is the InChIKey of 2-bromo-5-methylaniline;ethane?
The InChIKey is JOVLSFSMEJGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.C2H6/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4H,9H2,1H3;1-2H3.
What are the key properties of 2-bromo-5-methylaniline;ethane?
2-bromo-5-methylaniline;ethane has a molecular weight of 216.12 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylaniline;ethane is sourced from PubChem (CID 170980783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).