3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

C16H23BrN2 — CID 60856760

IUPAC3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCN1CCC(CNC2CC(c3cccc(Br)c3)C2)C1
InChIInChI=1S/C16H23BrN2/c1-19-6-5-12(11-19)10-18-16-8-14(9-16)13-3-2-4-15(17)7-13/h2-4,7,12,14,16,18H,5-6,8-11H2,1H3
InChIKeyQAORJVDWPZPAHN-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.24
Rot. Bonds4

About 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 60856760) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID60856760
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCN1CCC(CNC2CC(c3cccc(Br)c3)C2)C1
InChIInChI=1S/C16H23BrN2/c1-19-6-5-12(11-19)10-18-16-8-14(9-16)13-3-2-4-15(17)7-13/h2-4,7,12,14,16,18H,5-6,8-11H2,1H3
InChIKeyQAORJVDWPZPAHN-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-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

3-(3-bromophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60857287
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104530160
3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856262
N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine
CID 43634693
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-(3-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989351
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
CID 63897610
1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone
CID 43746005

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (CID 60856760) is 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is CN1CCC(CNC2CC(c3cccc(Br)c3)C2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is QAORJVDWPZPAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-19-6-5-12(11-19)10-18-16-8-14(9-16)13-3-2-4-15(17)7-13/h2-4,7,12,14,16,18H,5-6,8-11H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 323.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 60856760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).