1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine

C14H21BrN2O2 — CID 120909277

IUPAC1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCOc1cc(Br)c(CN2CC(C)C(N)C2)c(OC)c1
InChIInChI=1S/C14H21BrN2O2/c1-9-6-17(8-13(9)16)7-11-12(15)4-10(18-2)5-14(11)19-3/h4-5,9,13H,6-8,16H2,1-3H3
InChIKeyQJUZWVBYHFBLFJ-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.25
Rot. Bonds4

About 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine

1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909277) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909277
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCOc1cc(Br)c(CN2CC(C)C(N)C2)c(OC)c1
InChIInChI=1S/C14H21BrN2O2/c1-9-6-17(8-13(9)16)7-11-12(15)4-10(18-2)5-14(11)19-3/h4-5,9,13H,6-8,16H2,1-3H3
InChIKeyQJUZWVBYHFBLFJ-UHFFFAOYSA-N
XLogP2.25
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909053
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909295
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
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-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909204
1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046096
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine (CID 120909277) is 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine is COc1cc(Br)c(CN2CC(C)C(N)C2)c(OC)c1.
What is the InChIKey of 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is QJUZWVBYHFBLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9-6-17(8-13(9)16)7-11-12(15)4-10(18-2)5-14(11)19-3/h4-5,9,13H,6-8,16H2,1-3H3.
What are the key properties of 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 329.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).