N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine

C13H19BrN2 — CID 115928714

IUPACN-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCc1c(Br)cccc1NC1CC(C)N(C)C1
InChIInChI=1S/C13H19BrN2/c1-9-7-11(8-16(9)3)15-13-6-4-5-12(14)10(13)2/h4-6,9,11,15H,7-8H2,1-3H3
InChIKeyBTDTYSNRWSZPJG-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.26
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine

N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 115928714) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID115928714
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCc1c(Br)cccc1NC1CC(C)N(C)C1
InChIInChI=1S/C13H19BrN2/c1-9-7-11(8-16(9)3)15-13-6-4-5-12(14)10(13)2/h4-6,9,11,15H,7-8H2,1-3H3
InChIKeyBTDTYSNRWSZPJG-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine (CID 115928714) is N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine is Cc1c(Br)cccc1NC1CC(C)N(C)C1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is BTDTYSNRWSZPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-7-11(8-16(9)3)15-13-6-4-5-12(14)10(13)2/h4-6,9,11,15H,7-8H2,1-3H3.
What are the key properties of N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115928714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).