1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C15H20BrN3 — CID 105012477

IUPAC1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cccc(Br)c1C
InChIInChI=1S/C15H20BrN3/c1-3-8-19-9-7-18-15(19)10-14(17)12-5-4-6-13(16)11(12)2/h4-7,9,14H,3,8,10,17H2,1-2H3
InChIKeyBGNHCILPVDQNIV-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.61
Rot. Bonds5

About 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012477) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012477
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cccc(Br)c1C
InChIInChI=1S/C15H20BrN3/c1-3-8-19-9-7-18-15(19)10-14(17)12-5-4-6-13(16)11(12)2/h4-7,9,14H,3,8,10,17H2,1-2H3
InChIKeyBGNHCILPVDQNIV-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167670
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012264
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167678
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105012477) is 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is BGNHCILPVDQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-8-19-9-7-18-15(19)10-14(17)12-5-4-6-13(16)11(12)2/h4-7,9,14H,3,8,10,17H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).