2-(3-bromoprop-1-enyl)-4-methylaniline

C10H12BrN — CID 169475211

IUPAC2-(3-bromoprop-1-enyl)-4-methylaniline
SMILESCc1ccc(N)c(C=CCBr)c1
InChIInChI=1S/C10H12BrN/c1-8-4-5-10(12)9(7-8)3-2-6-11/h2-5,7H,6,12H2,1H3
InChIKeyZNMLPOFHFMTEPL-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.99
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-4-methylaniline

2-(3-bromoprop-1-enyl)-4-methylaniline (PubChem CID 169475211) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-4-methylaniline.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-4-methylaniline
PubChem CID169475211
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name2-(3-bromoprop-1-enyl)-4-methylaniline
SMILESCc1ccc(N)c(C=CCBr)c1
InChIInChI=1S/C10H12BrN/c1-8-4-5-10(12)9(7-8)3-2-6-11/h2-5,7H,6,12H2,1H3
InChIKeyZNMLPOFHFMTEPL-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863
4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
CID 169475520
3-(2-amino-5-methylphenyl)prop-2-enamide
CID 169481556
2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine
CID 169475153
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
2-[(1E)-2-bromobuta-1,3-dienyl]-4-methylaniline
CID 88991378
ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
CID 143786948
4-(3-bromoprop-1-enyl)-3-methylphenol
CID 169475109
2-amino-6-(3-bromoprop-1-enyl)phenol
CID 169475273
2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline
CID 169473959
6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine
CID 169475152
chloro-[3-(2,5-dimethylphenyl)prop-2-enyl]silane
CID 152755500

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-4-methylaniline?
The IUPAC name of 2-(3-bromoprop-1-enyl)-4-methylaniline (CID 169475211) is 2-(3-bromoprop-1-enyl)-4-methylaniline.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-4-methylaniline?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-4-methylaniline is Cc1ccc(N)c(C=CCBr)c1.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-4-methylaniline?
The InChIKey is ZNMLPOFHFMTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-8-4-5-10(12)9(7-8)3-2-6-11/h2-5,7H,6,12H2,1H3.
What are the key properties of 2-(3-bromoprop-1-enyl)-4-methylaniline?
2-(3-bromoprop-1-enyl)-4-methylaniline has a molecular weight of 226.12 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-4-methylaniline is sourced from PubChem (CID 169475211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).