1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine

C12H16BrClN2 — CID 103480332

IUPAC1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cccc(Cl)c2Br)C1
InChIInChI=1S/C12H16BrClN2/c1-15-7-9-5-6-16(8-9)11-4-2-3-10(14)12(11)13/h2-4,9,15H,5-8H2,1H3
InChIKeyZJDRQDPOGRTONW-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.15
Rot. Bonds3

About 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 103480332) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID103480332
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cccc(Cl)c2Br)C1
InChIInChI=1S/C12H16BrClN2/c1-15-7-9-5-6-16(8-9)11-4-2-3-10(14)12(11)13/h2-4,9,15H,5-8H2,1H3
InChIKeyZJDRQDPOGRTONW-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 103480318
1-[1-(4-bromo-2,6-dichlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62512255
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 63249694
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513534
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
1-[1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 120999029
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 103480332) is 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2cccc(Cl)c2Br)C1.
What is the InChIKey of 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is ZJDRQDPOGRTONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-15-7-9-5-6-16(8-9)11-4-2-3-10(14)12(11)13/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 303.63 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103480332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).