5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine

C7H11BrN2 — CID 21051491

IUPAC5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine
SMILESCNc1cc(C)c(CBr)[nH]1
InChIInChI=1S/C7H11BrN2/c1-5-3-7(9-2)10-6(5)4-8/h3,9-10H,4H2,1-2H3
InChIKeyZCCUWAFZAIAUCZ-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.26
Rot. Bonds2

About 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine

5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine (PubChem CID 21051491) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine
PubChem CID21051491
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine
SMILESCNc1cc(C)c(CBr)[nH]1
InChIInChI=1S/C7H11BrN2/c1-5-3-7(9-2)10-6(5)4-8/h3,9-10H,4H2,1-2H3
InChIKeyZCCUWAFZAIAUCZ-UHFFFAOYSA-N
XLogP2.26
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3,5-dimethyl-1H-pyrrole
CID 55266491
2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride
CID 91433435
2-chloro-N-methyl-4H-furo[3,2-b]pyrrol-5-amine
CID 170256772
5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole
CID 90873915
N-methyl-1,4-dihydropyrrolo[3,2-b]pyrrol-5-amine
CID 141134864
N,5-dimethyl-1H-indol-2-amine;dihydrochloride
CID 57435942
5-chloro-N,2,4-trimethylaniline;ethane
CID 145268863
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine
CID 163767596
7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
CID 178132037
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
ethane;N,2,4-trimethyl-6-propylaniline
CID 144922469

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine?
The IUPAC name of 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine (CID 21051491) is 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine?
The canonical SMILES for 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine is CNc1cc(C)c(CBr)[nH]1.
What is the InChIKey of 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine?
The InChIKey is ZCCUWAFZAIAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-5-3-7(9-2)10-6(5)4-8/h3,9-10H,4H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine?
5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine has a molecular weight of 203.08 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine is sourced from PubChem (CID 21051491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).