1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine

C18H22BrN3O — CID 120909087

IUPAC1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc(Br)ccc2OCc2ccccn2)CC1N
InChIInChI=1S/C18H22BrN3O/c1-13-9-22(11-17(13)20)10-14-8-15(19)5-6-18(14)23-12-16-4-2-3-7-21-16/h2-8,13,17H,9-12,20H2,1H3
InChIKeyRDYYFCOWXXBCQC-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.20
Rot. Bonds5

About 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine

1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909087) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909087
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc(Br)ccc2OCc2ccccn2)CC1N
InChIInChI=1S/C18H22BrN3O/c1-13-9-22(11-17(13)20)10-14-8-15(19)5-6-18(14)23-12-16-4-2-3-7-21-16/h2-8,13,17H,9-12,20H2,1H3
InChIKeyRDYYFCOWXXBCQC-UHFFFAOYSA-N
XLogP3.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780454
(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120769872
4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 103576660
4-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909460
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120769592
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126769119

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine (CID 120909087) is 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2cc(Br)ccc2OCc2ccccn2)CC1N.
What is the InChIKey of 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is RDYYFCOWXXBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-13-9-22(11-17(13)20)10-14-8-15(19)5-6-18(14)23-12-16-4-2-3-7-21-16/h2-8,13,17H,9-12,20H2,1H3.
What are the key properties of 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 376.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).