1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine

C15H20BrN3 — CID 102772183

IUPAC1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCCc1nccn1Cc1ccc(CNC)cc1Br
InChIInChI=1S/C15H20BrN3/c1-3-4-15-18-7-8-19(15)11-13-6-5-12(10-17-2)9-14(13)16/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyHBQBUOZLKVMQMW-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.37
Rot. Bonds6

About 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 102772183) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID102772183
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCCc1nccn1Cc1ccc(CNC)cc1Br
InChIInChI=1S/C15H20BrN3/c1-3-4-15-18-7-8-19(15)11-13-6-5-12(10-17-2)9-14(13)16/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyHBQBUOZLKVMQMW-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772185
methyl 3-bromo-4-[(2-propylimidazol-1-yl)methyl]benzoate
CID 102766227
1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 102772106
3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
CID 115769653
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403458
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
CID 106269522
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
1-[3-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771573
N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 80729319

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine (CID 102772183) is 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine is CCCc1nccn1Cc1ccc(CNC)cc1Br.
What is the InChIKey of 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is HBQBUOZLKVMQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-4-15-18-7-8-19(15)11-13-6-5-12(10-17-2)9-14(13)16/h5-9,17H,3-4,10-11H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102772183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).