2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine

C14H21BrN2 — CID 117017594

IUPAC2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
SMILESCC1(C)C(CCN)CCN1c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-14(2)11(7-9-16)8-10-17(14)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyNXYVFWDCWXDNNJ-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.40
Rot. Bonds3

About 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine

2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine (PubChem CID 117017594) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
PubChem CID117017594
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
SMILESCC1(C)C(CCN)CCN1c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-14(2)11(7-9-16)8-10-17(14)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyNXYVFWDCWXDNNJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
CID 84607203
[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019738
2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
CID 117017552
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117017824
2-[4-(2-aminoethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024828
[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017658
2-[2,2-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117017498
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
CID 117019217
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016957

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine (CID 117017594) is 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine is CC1(C)C(CCN)CCN1c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
The InChIKey is NXYVFWDCWXDNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)11(7-9-16)8-10-17(14)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 117017594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).