N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine

C12H17BrN2 — CID 83844779

IUPACN-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H17BrN2/c1-14-8-7-12(9-14)15(2)11-5-3-10(13)4-6-11/h3-6,12H,7-9H2,1-2H3
InChIKeyBSUXZGCFSCHMNQ-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.59
Rot. Bonds2

About N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine

N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine (PubChem CID 83844779) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
PubChem CID83844779
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H17BrN2/c1-14-8-7-12(9-14)15(2)11-5-3-10(13)4-6-11/h3-6,12H,7-9H2,1-2H3
InChIKeyBSUXZGCFSCHMNQ-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine (CID 83844779) is N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine is CN1CCC(N(C)c2ccc(Br)cc2)C1.
What is the InChIKey of N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is BSUXZGCFSCHMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-14-8-7-12(9-14)15(2)11-5-3-10(13)4-6-11/h3-6,12H,7-9H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine?
N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 83844779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).