[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

C15H22BrN3 — CID 107274914

IUPAC[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCC(N3CCCC3)C2)cc1Br
InChIInChI=1S/C15H22BrN3/c16-15-9-13(4-3-12(15)10-17)19-8-5-14(11-19)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11,17H2
InChIKeyOGGLJTQYXAGXFM-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.58
Rot. Bonds3

About [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 107274914) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID107274914
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCC(N3CCCC3)C2)cc1Br
InChIInChI=1S/C15H22BrN3/c16-15-9-13(4-3-12(15)10-17)19-8-5-14(11-19)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11,17H2
InChIKeyOGGLJTQYXAGXFM-UHFFFAOYSA-N
XLogP2.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 107274657
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine
CID 107275009
2-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 107277789
[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 62946182
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
[2-bromo-4-(2-methylthiomorpholin-4-yl)phenyl]methanamine
CID 107275045
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
[2-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
CID 107274929

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (CID 107274914) is [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1ccc(N2CCC(N3CCCC3)C2)cc1Br.
What is the InChIKey of [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is OGGLJTQYXAGXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c16-15-9-13(4-3-12(15)10-17)19-8-5-14(11-19)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11,17H2.
What are the key properties of [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 324.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 107274914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).