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

C16H22BrN3 — CID 61318558

IUPACN-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1ccc(Br)cc1C
InChIInChI=1S/C16H22BrN3/c1-4-9-20-10-8-19-16(20)15(18-5-2)14-7-6-13(17)11-12(14)3/h6-8,10-11,15,18H,4-5,9H2,1-3H3
InChIKeyGOQCORBOESBDJC-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.06
Rot. Bonds6

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

N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 61318558) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID61318558
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1ccc(Br)cc1C
InChIInChI=1S/C16H22BrN3/c1-4-9-20-10-8-19-16(20)15(18-5-2)14-7-6-13(17)11-12(14)3/h6-8,10-11,15,18H,4-5,9H2,1-3H3
InChIKeyGOQCORBOESBDJC-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79996590
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945887
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318152
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
CID 61316871
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 61318558) is N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)c1ccc(Br)cc1C.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is GOQCORBOESBDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-9-20-10-8-19-16(20)15(18-5-2)14-7-6-13(17)11-12(14)3/h6-8,10-11,15,18H,4-5,9H2,1-3H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 336.28 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61318558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).