1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine

C14H21BrN2O — CID 116951457

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCNC(CC1CCCN1)c1cc(Br)ccc1OC
InChIInChI=1S/C14H21BrN2O/c1-16-13(9-11-4-3-7-17-11)12-8-10(15)5-6-14(12)18-2/h5-6,8,11,13,16-17H,3-4,7,9H2,1-2H3
InChIKeyVIWWAJAQIMWLJE-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.86
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine

1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine (PubChem CID 116951457) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
PubChem CID116951457
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCNC(CC1CCCN1)c1cc(Br)ccc1OC
InChIInChI=1S/C14H21BrN2O/c1-16-13(9-11-4-3-7-17-11)12-8-10(15)5-6-14(12)18-2/h5-6,8,11,13,16-17H,3-4,7,9H2,1-2H3
InChIKeyVIWWAJAQIMWLJE-UHFFFAOYSA-N
XLogP2.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine 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-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
CID 116935969
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951467
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
4-(5-bromo-2-methoxyphenyl)-4-(methylamino)butan-2-one
CID 116956001
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
N-methyl-1-(1-methylindol-3-yl)-2-pyrrolidin-2-ylethanamine
CID 116951474
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605745
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
4-(5-bromo-2-methoxyphenyl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953728
N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211100

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine (CID 116951457) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine is CNC(CC1CCCN1)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
The InChIKey is VIWWAJAQIMWLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16-13(9-11-4-3-7-17-11)12-8-10(15)5-6-14(12)18-2/h5-6,8,11,13,16-17H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116951457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).