1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine

C16H26BrN3 — CID 63166544

IUPAC1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC(N)C(c1cccc(Br)c1)N1CCC(N(C)C)C1
InChIInChI=1S/C16H26BrN3/c1-4-15(18)16(12-6-5-7-13(17)10-12)20-9-8-14(11-20)19(2)3/h5-7,10,14-16H,4,8-9,11,18H2,1-3H3
InChIKeyJJLZZHGUQSBXHR-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.86
Rot. Bonds5

About 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166544) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166544
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC(N)C(c1cccc(Br)c1)N1CCC(N(C)C)C1
InChIInChI=1S/C16H26BrN3/c1-4-15(18)16(12-6-5-7-13(17)10-12)20-9-8-14(11-20)19(2)3/h5-7,10,14-16H,4,8-9,11,18H2,1-3H3
InChIKeyJJLZZHGUQSBXHR-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-bromophenyl)butan-2-amine
CID 115559123
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
1-(3-bromophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55154267
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-(3-bromophenyl)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-2-amine
CID 107453294
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 55019336
1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
CID 55016025
1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964938

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166544) is 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine is CCC(N)C(c1cccc(Br)c1)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is JJLZZHGUQSBXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-15(18)16(12-6-5-7-13(17)10-12)20-9-8-14(11-20)19(2)3/h5-7,10,14-16H,4,8-9,11,18H2,1-3H3.
What are the key properties of 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 340.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).