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

C14H21BrN2 — CID 63215857

IUPAC2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-14(2)7-4-8-17(14)13(10-16)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3
InChIKeyRDCLNXVFUADDTB-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.32
Rot. Bonds3

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

2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 63215857) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID63215857
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-14(2)7-4-8-17(14)13(10-16)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3
InChIKeyRDCLNXVFUADDTB-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216309
2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216072
1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 114079270
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262
2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63219371
2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 79984492
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429621
2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 106885736
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 63215857) is 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is RDCLNXVFUADDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)7-4-8-17(14)13(10-16)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63215857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).