N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

C13H19BrN2O — CID 63297828

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(Br)cc1CN(C)C1CCNC1
InChIInChI=1S/C13H19BrN2O/c1-16(12-5-6-15-8-12)9-10-7-11(14)3-4-13(10)17-2/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyAWWCKSOFPXJKPA-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.25
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 63297828) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID63297828
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(Br)cc1CN(C)C1CCNC1
InChIInChI=1S/C13H19BrN2O/c1-16(12-5-6-15-8-12)9-10-7-11(14)3-4-13(10)17-2/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyAWWCKSOFPXJKPA-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (CID 63297828) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is COc1ccc(Br)cc1CN(C)C1CCNC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is AWWCKSOFPXJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(12-5-6-15-8-12)9-10-7-11(14)3-4-13(10)17-2/h3-4,7,12,15H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 299.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63297828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).