1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine

C12H17BrN2 — CID 103575185

IUPAC1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccccc2Br)CC1N
InChIInChI=1S/C12H17BrN2/c1-9-6-15(8-12(9)14)7-10-4-2-3-5-11(10)13/h2-5,9,12H,6-8,14H2,1H3
InChIKeyGHUSZJFTEGZKCS-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.23
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine

1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575185) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID103575185
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccccc2Br)CC1N
InChIInChI=1S/C12H17BrN2/c1-9-6-15(8-12(9)14)7-10-4-2-3-5-11(10)13/h2-5,9,12H,6-8,14H2,1H3
InChIKeyGHUSZJFTEGZKCS-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine 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-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909295
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576942
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908867

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine (CID 103575185) is 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccccc2Br)CC1N.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is GHUSZJFTEGZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-6-15(8-12(9)14)7-10-4-2-3-5-11(10)13/h2-5,9,12H,6-8,14H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine?
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).