4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline

C9H11BrNP — CID 142845497

IUPAC4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline
SMILESC=C(P)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C9H11BrNP/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5,11H,2,12H2,1H3
InChIKeyVZMMOZNLBBAWSL-UHFFFAOYSA-N
MW244.07 g/mol
LogP3.52
Rot. Bonds2

About 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline

4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline (PubChem CID 142845497) has the molecular formula C9H11BrNP and a molecular weight of 244.07 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline
PubChem CID142845497
Molecular FormulaC9H11BrNP
Molecular Weight244.07 g/mol
Exact Mass242.98
IUPAC Name4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline
SMILESC=C(P)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C9H11BrNP/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5,11H,2,12H2,1H3
InChIKeyVZMMOZNLBBAWSL-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline 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-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
1-(4-bromo-3-methylphenyl)-3-tert-butylthiourea
CID 2797636
(Z)-4-(4-bromo-3-methylanilino)-4-oxobut-2-enoic acid
CID 28811119
1-(4-bromo-3-methylphenyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 8900458
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-but-1-en-2-yl-3,4-dimethylaniline
CID 142248146
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline?
The IUPAC name of 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline (CID 142845497) is 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline.
What is the SMILES notation for 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline?
The canonical SMILES for 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline is C=C(P)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline?
The InChIKey is VZMMOZNLBBAWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrNP/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5,11H,2,12H2,1H3.
What are the key properties of 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline?
4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline has a molecular weight of 244.07 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline is sourced from PubChem (CID 142845497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).