[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine

C14H19BrN2 — CID 107275009

IUPAC[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine
SMILESNCc1ccc(N2CC3CCCC3C2)cc1Br
InChIInChI=1S/C14H19BrN2/c15-14-6-13(5-4-10(14)7-16)17-8-11-2-1-3-12(11)9-17/h4-6,11-12H,1-3,7-9,16H2
InChIKeyHLADDRWSZBBBQB-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.14
Rot. Bonds2

About [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine

[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine (PubChem CID 107275009) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine.

Molecular Properties

Compound Name[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine
PubChem CID107275009
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine
SMILESNCc1ccc(N2CC3CCCC3C2)cc1Br
InChIInChI=1S/C14H19BrN2/c15-14-6-13(5-4-10(14)7-16)17-8-11-2-1-3-12(11)9-17/h4-6,11-12H,1-3,7-9,16H2
InChIKeyHLADDRWSZBBBQB-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine with MolForge

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Related Compounds

1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 107274657
[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107274914
[2-bromo-4-(2-methylthiomorpholin-4-yl)phenyl]methanamine
CID 107275045
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-bromophenyl]methanamine
CID 82794484
2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
CID 112747807
[2-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
CID 107274929
[2-bromo-4-(1,1-dioxo-1,4-thiazepan-4-yl)phenyl]methanamine
CID 114083356
1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
CID 90423876
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylphenyl]methyl]ethanamine
CID 115560663
1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol
CID 106667722
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-bromobenzenecarbothioamide
CID 107277408
1-(3-bromo-4-ethylphenyl)pyrrolidine
CID 84708206

Frequently Asked Questions

What is the IUPAC name of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine?
The IUPAC name of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine (CID 107275009) is [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine.
What is the SMILES notation for [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine?
The canonical SMILES for [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine is NCc1ccc(N2CC3CCCC3C2)cc1Br.
What is the InChIKey of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine?
The InChIKey is HLADDRWSZBBBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c15-14-6-13(5-4-10(14)7-16)17-8-11-2-1-3-12(11)9-17/h4-6,11-12H,1-3,7-9,16H2.
What are the key properties of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine?
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine has a molecular weight of 295.22 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine is sourced from PubChem (CID 107275009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).