N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine

C14H21BrN2 — CID 79385037

IUPACN-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
SMILESCC1NCCC1CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c1-11-13(7-8-16-11)10-17(2)9-12-3-5-14(15)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyHUPHLYMUXSSIJB-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.88
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine

N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine (PubChem CID 79385037) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
PubChem CID79385037
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
SMILESCC1NCCC1CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c1-11-13(7-8-16-11)10-17(2)9-12-3-5-14(15)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyHUPHLYMUXSSIJB-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine (CID 79385037) is N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine is CC1NCCC1CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
The InChIKey is HUPHLYMUXSSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-13(7-8-16-11)10-17(2)9-12-3-5-14(15)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine has a molecular weight of 297.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79385037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).