[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C19H25BrClN3O — CID 120780454

IUPAC[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cc(Br)ccc2OCc2ccccn2)C1.Cl
InChIInChI=1S/C19H24BrN3O.ClH/c1-19(13-21)7-9-23(14-19)11-15-10-16(20)5-6-18(15)24-12-17-4-2-3-8-22-17;/h2-6,8,10H,7,9,11-14,21H2,1H3;1H
InChIKeyORRARNHSKUIDOQ-UHFFFAOYSA-N
MW426.79 g/mol
LogP4.02
Rot. Bonds6

About [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780454) has the molecular formula C19H25BrClN3O and a molecular weight of 426.79 g/mol. Its IUPAC name is [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780454
Molecular FormulaC19H25BrClN3O
Molecular Weight426.79 g/mol
Exact Mass425.09
IUPAC Name[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cc(Br)ccc2OCc2ccccn2)C1.Cl
InChIInChI=1S/C19H24BrN3O.ClH/c1-19(13-21)7-9-23(14-19)11-15-10-16(20)5-6-18(15)24-12-17-4-2-3-8-22-17;/h2-6,8,10H,7,9,11-14,21H2,1H3;1H
InChIKeyORRARNHSKUIDOQ-UHFFFAOYSA-N
XLogP4.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(5-bromo-2-propoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781277
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909087
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773386
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-4-bromo-2-methoxyphenol
CID 120780657

Frequently Asked Questions

What is the IUPAC name of [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780454) is [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(Cc2cc(Br)ccc2OCc2ccccn2)C1.Cl.
What is the InChIKey of [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is ORRARNHSKUIDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O.ClH/c1-19(13-21)7-9-23(14-19)11-15-10-16(20)5-6-18(15)24-12-17-4-2-3-8-22-17;/h2-6,8,10H,7,9,11-14,21H2,1H3;1H.
What are the key properties of [1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 426.79 g/mol, XLogP of 4.02, 6 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]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).