[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine

C13H19BrN2 — CID 114879785

IUPAC[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
SMILESCCC1CCN(c2cccc(Br)c2CN)C1
InChIInChI=1S/C13H19BrN2/c1-2-10-6-7-16(9-10)13-5-3-4-12(14)11(13)8-15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyFYCBYQYNTBBHFT-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.14
Rot. Bonds3

About [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine

[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 114879785) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID114879785
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
SMILESCCC1CCN(c2cccc(Br)c2CN)C1
InChIInChI=1S/C13H19BrN2/c1-2-10-6-7-16(9-10)13-5-3-4-12(14)11(13)8-15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyFYCBYQYNTBBHFT-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
2-bromo-6-(3-propylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882699
[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
CID 79687629
[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742897
[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 114879719
1-[4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-1-yl]ethanone
CID 114879594
[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]methanol
CID 114065244
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
(3S)-1-(2-bromophenyl)pyrrolidin-3-amine
CID 51663672
1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63787159

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine (CID 114879785) is [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine is CCC1CCN(c2cccc(Br)c2CN)C1.
What is the InChIKey of [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is FYCBYQYNTBBHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-10-6-7-16(9-10)13-5-3-4-12(14)11(13)8-15/h3-5,10H,2,6-9,15H2,1H3.
What are the key properties of [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine?
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 283.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114879785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).