1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine

C13H19BrN2O — CID 120909295

IUPAC1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCOc1c(Br)cccc1CN1CC(C)C(N)C1
InChIInChI=1S/C13H19BrN2O/c1-9-6-16(8-12(9)15)7-10-4-3-5-11(14)13(10)17-2/h3-5,9,12H,6-8,15H2,1-2H3
InChIKeyVTPVOGDWGXSKQO-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.24
Rot. Bonds3

About 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine

1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909295) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909295
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCOc1c(Br)cccc1CN1CC(C)C(N)C1
InChIInChI=1S/C13H19BrN2O/c1-9-6-16(8-12(9)15)7-10-4-3-5-11(14)13(10)17-2/h3-5,9,12H,6-8,15H2,1-2H3
InChIKeyVTPVOGDWGXSKQO-UHFFFAOYSA-N
XLogP2.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908867
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909053
1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
1-[(3-iodo-4,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909766
1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909277
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576942
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine (CID 120909295) is 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine is COc1c(Br)cccc1CN1CC(C)C(N)C1.
What is the InChIKey of 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is VTPVOGDWGXSKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-6-16(8-12(9)15)7-10-4-3-5-11(14)13(10)17-2/h3-5,9,12H,6-8,15H2,1-2H3.
What are the key properties of 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 299.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).