1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine

C15H23BrN2O — CID 120848150

IUPAC1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCOc1ccc(Br)cc1C1CCCN1CC(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-15(2,17)10-18-8-4-5-13(18)12-9-11(16)6-7-14(12)19-3/h6-7,9,13H,4-5,8,10,17H2,1-3H3
InChIKeyXZZGWCZGEZFAJJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.33
Rot. Bonds4

About 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine

1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine (PubChem CID 120848150) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
PubChem CID120848150
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCOc1ccc(Br)cc1C1CCCN1CC(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-15(2,17)10-18-8-4-5-13(18)12-9-11(16)6-7-14(12)19-3/h6-7,9,13H,4-5,8,10,17H2,1-3H3
InChIKeyXZZGWCZGEZFAJJ-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]acetonitrile
CID 95277143
4-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119135164
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 56822662
5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 86879239
1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120855842
[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765016
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119765008
(2S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 26522180
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60618818

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine (CID 120848150) is 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine is COc1ccc(Br)cc1C1CCCN1CC(C)(C)N.
What is the InChIKey of 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The InChIKey is XZZGWCZGEZFAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(2,17)10-18-8-4-5-13(18)12-9-11(16)6-7-14(12)19-3/h6-7,9,13H,4-5,8,10,17H2,1-3H3.
What are the key properties of 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine?
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 120848150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).