N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine

C18H22BrN3O — CID 70339719

IUPACN-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
SMILESCOc1ccc(C2CCN(CCNc3ccccn3)C2)cc1Br
InChIInChI=1S/C18H22BrN3O/c1-23-17-6-5-14(12-16(17)19)15-7-10-22(13-15)11-9-21-18-4-2-3-8-20-18/h2-6,8,12,15H,7,9-11,13H2,1H3,(H,20,21)
InChIKeyJQOIJNQLIQJFFY-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.75
Rot. Bonds6

About N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine

N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine (PubChem CID 70339719) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
PubChem CID70339719
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC NameN-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
SMILESCOc1ccc(C2CCN(CCNc3ccccn3)C2)cc1Br
InChIInChI=1S/C18H22BrN3O/c1-23-17-6-5-14(12-16(17)19)15-7-10-22(13-15)11-9-21-18-4-2-3-8-20-18/h2-6,8,12,15H,7,9-11,13H2,1H3,(H,20,21)
InChIKeyJQOIJNQLIQJFFY-UHFFFAOYSA-N
XLogP3.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
The IUPAC name of N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine (CID 70339719) is N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
The canonical SMILES for N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine is COc1ccc(C2CCN(CCNc3ccccn3)C2)cc1Br.
What is the InChIKey of N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
The InChIKey is JQOIJNQLIQJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-23-17-6-5-14(12-16(17)19)15-7-10-22(13-15)11-9-21-18-4-2-3-8-20-18/h2-6,8,12,15H,7,9-11,13H2,1H3,(H,20,21).
What are the key properties of N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine?
N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine has a molecular weight of 376.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 70339719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).