3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline

C11H14BrN3O — CID 147146512

IUPAC3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline
SMILESC/N=C(\C(Br)=CN)c1cc(N)ccc1OC
InChIInChI=1S/C11H14BrN3O/c1-15-11(9(12)6-13)8-5-7(14)3-4-10(8)16-2/h3-6H,13-14H2,1-2H3/b9-6?,15-11-
InChIKeyRJIBNYRKFOLVGL-HUQQBDRGSA-N
MW284.16 g/mol
LogP1.89
Rot. Bonds3

About 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline

3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline (PubChem CID 147146512) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline
PubChem CID147146512
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline
SMILESC/N=C(\C(Br)=CN)c1cc(N)ccc1OC
InChIInChI=1S/C11H14BrN3O/c1-15-11(9(12)6-13)8-5-7(14)3-4-10(8)16-2/h3-6H,13-14H2,1-2H3/b9-6?,15-11-
InChIKeyRJIBNYRKFOLVGL-HUQQBDRGSA-N
XLogP1.89
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline 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

4-[(Z)-2-amino-1-methoxyethenyl]-3-methoxyaniline
CID 142018135
(E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 156650923
ethyl 5-amino-2-methoxybenzoate
CID 22180184
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
CID 62921862
N-(5-amino-2-methoxyphenyl)hydroxylamine
CID 20540979
2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
CID 155481805
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611

Frequently Asked Questions

What is the IUPAC name of 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline?
The IUPAC name of 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline (CID 147146512) is 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline.
What is the SMILES notation for 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline?
The canonical SMILES for 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline is C/N=C(\C(Br)=CN)c1cc(N)ccc1OC.
What is the InChIKey of 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline?
The InChIKey is RJIBNYRKFOLVGL-HUQQBDRGSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-15-11(9(12)6-13)8-5-7(14)3-4-10(8)16-2/h3-6H,13-14H2,1-2H3/b9-6?,15-11-.
What are the key properties of 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline?
3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline has a molecular weight of 284.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline is sourced from PubChem (CID 147146512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).