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

C16H22BrN3 — CID 102772185

IUPACN-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCCc1nccn1Cc1ccc(CNCC)cc1Br
InChIInChI=1S/C16H22BrN3/c1-3-5-16-19-8-9-20(16)12-14-7-6-13(10-15(14)17)11-18-4-2/h6-10,18H,3-5,11-12H2,1-2H3
InChIKeyAAFQKDPTFNYFPE-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.76
Rot. Bonds7

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

N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 102772185) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID102772185
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCCc1nccn1Cc1ccc(CNCC)cc1Br
InChIInChI=1S/C16H22BrN3/c1-3-5-16-19-8-9-20(16)12-14-7-6-13(10-15(14)17)11-18-4-2/h6-10,18H,3-5,11-12H2,1-2H3
InChIKeyAAFQKDPTFNYFPE-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102772183
methyl 3-bromo-4-[(2-propylimidazol-1-yl)methyl]benzoate
CID 102766227
N-[[3-bromo-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 102770892
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 80729319
N-[[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102768820
N-[[3-bromo-4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772137
N-[[3-bromo-4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772070
N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403458
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
CID 115769653
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine (CID 102772185) is N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine is CCCc1nccn1Cc1ccc(CNCC)cc1Br.
What is the InChIKey of N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is AAFQKDPTFNYFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-3-5-16-19-8-9-20(16)12-14-7-6-13(10-15(14)17)11-18-4-2/h6-10,18H,3-5,11-12H2,1-2H3.
What are the key properties of N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 102772185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).