[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine

C14H21BrN2 — CID 114879719

IUPAC[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCC(C)C1CCCN1c1cccc(Br)c1CN
InChIInChI=1S/C14H21BrN2/c1-10(2)13-7-4-8-17(13)14-6-3-5-12(15)11(14)9-16/h3,5-6,10,13H,4,7-9,16H2,1-2H3
InChIKeyAJPCAMXACNYGLU-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.53
Rot. Bonds3

About [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine

[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 114879719) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID114879719
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCC(C)C1CCCN1c1cccc(Br)c1CN
InChIInChI=1S/C14H21BrN2/c1-10(2)13-7-4-8-17(13)14-6-3-5-12(15)11(14)9-16/h3,5-6,10,13H,4,7-9,16H2,1-2H3
InChIKeyAJPCAMXACNYGLU-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882512
1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine
CID 107084258
2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 113392728
[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248148
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
CID 114879785
4-bromo-5-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 116736061
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79519913
6-(2-propan-2-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80652168
2-(3-bromo-2-methylphenyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107639879

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine (CID 114879719) is [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine is CC(C)C1CCCN1c1cccc(Br)c1CN.
What is the InChIKey of [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is AJPCAMXACNYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(2)13-7-4-8-17(13)14-6-3-5-12(15)11(14)9-16/h3,5-6,10,13H,4,7-9,16H2,1-2H3.
What are the key properties of [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 297.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114879719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).