1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

C13H19BrN2 — CID 62511575

IUPAC1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccc(Br)cc2C)C1
InChIInChI=1S/C13H19BrN2/c1-10-7-12(14)3-4-13(10)16-6-5-11(9-16)8-15-2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyNLCUCHKMBDSQCM-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.80
Rot. Bonds3

About 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 62511575) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID62511575
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccc(Br)cc2C)C1
InChIInChI=1S/C13H19BrN2/c1-10-7-12(14)3-4-13(10)16-6-5-11(9-16)8-15-2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyNLCUCHKMBDSQCM-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 62511575) is 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2ccc(Br)cc2C)C1.
What is the InChIKey of 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is NLCUCHKMBDSQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-7-12(14)3-4-13(10)16-6-5-11(9-16)8-15-2/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62511575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).