5-bromo-2-(2-methylpropanimidoyl)aniline

C10H13BrN2 — CID 123200505

IUPAC5-bromo-2-(2-methylpropanimidoyl)aniline
SMILES[H]/N=C(/c1ccc(Br)cc1N)C(C)C
InChIInChI=1S/C10H13BrN2/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,13H,12H2,1-2H3/b13-10+
InChIKeyBAIOKJAWKFBSRG-JLHYYAGUSA-N
MW241.13 g/mol
LogP3.06
Rot. Bonds2

About 5-bromo-2-(2-methylpropanimidoyl)aniline

5-bromo-2-(2-methylpropanimidoyl)aniline (PubChem CID 123200505) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropanimidoyl)aniline.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropanimidoyl)aniline
PubChem CID123200505
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name5-bromo-2-(2-methylpropanimidoyl)aniline
SMILES[H]/N=C(/c1ccc(Br)cc1N)C(C)C
InChIInChI=1S/C10H13BrN2/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,13H,12H2,1-2H3/b13-10+
InChIKeyBAIOKJAWKFBSRG-JLHYYAGUSA-N
XLogP3.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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5-Bromo-2-tert-butylaniline
CID 11959031
5-Bromo-2-cyclopropylaniline
CID 4712248
(2-Amino-5-fluorophenyl)(2-bromophenyl)methanimine
CID 19022669
5-Bromo-2-[(2-fluorophenyl)methyl]aniline
CID 21497353
5-Bromo-2-methylaniline hydrochloride
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5-Bromo-2-ethyl-3-fluoroaniline
CID 89288548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropanimidoyl)aniline?
The IUPAC name of 5-bromo-2-(2-methylpropanimidoyl)aniline (CID 123200505) is 5-bromo-2-(2-methylpropanimidoyl)aniline.
What is the SMILES notation for 5-bromo-2-(2-methylpropanimidoyl)aniline?
The canonical SMILES for 5-bromo-2-(2-methylpropanimidoyl)aniline is [H]/N=C(/c1ccc(Br)cc1N)C(C)C.
What is the InChIKey of 5-bromo-2-(2-methylpropanimidoyl)aniline?
The InChIKey is BAIOKJAWKFBSRG-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,13H,12H2,1-2H3/b13-10+.
What are the key properties of 5-bromo-2-(2-methylpropanimidoyl)aniline?
5-bromo-2-(2-methylpropanimidoyl)aniline has a molecular weight of 241.13 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropanimidoyl)aniline is sourced from PubChem (CID 123200505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).