[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine

C12H16Br2N2 — CID 43126275

IUPAC[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(Br)c(N2CCC(CN)C2)c(Br)c1
InChIInChI=1S/C12H16Br2N2/c1-8-4-10(13)12(11(14)5-8)16-3-2-9(6-15)7-16/h4-5,9H,2-3,6-7,15H2,1H3
InChIKeyWZMDWKRXQLHWQX-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.31
Rot. Bonds2

About [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine

[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 43126275) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID43126275
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(Br)c(N2CCC(CN)C2)c(Br)c1
InChIInChI=1S/C12H16Br2N2/c1-8-4-10(13)12(11(14)5-8)16-3-2-9(6-15)7-16/h4-5,9H,2-3,6-7,15H2,1H3
InChIKeyWZMDWKRXQLHWQX-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine 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-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine
CID 43126555
[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 91659383
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
2-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylbenzonitrile
CID 62306632
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
4-[3-(aminomethyl)pyrrolidin-1-yl]-3,5-difluorobenzoic acid
CID 63184853
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine (CID 43126275) is [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine is Cc1cc(Br)c(N2CCC(CN)C2)c(Br)c1.
What is the InChIKey of [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is WZMDWKRXQLHWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c1-8-4-10(13)12(11(14)5-8)16-3-2-9(6-15)7-16/h4-5,9H,2-3,6-7,15H2,1H3.
What are the key properties of [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine?
[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 348.08 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 43126275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).