1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine

C14H18BrN3 — CID 114069303

IUPAC1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-n2ccnc2C)cc1Br
InChIInChI=1S/C14H18BrN3/c1-4-16-10(2)13-6-5-12(9-14(13)15)18-8-7-17-11(18)3/h5-10,16H,4H2,1-3H3
InChIKeyIYOVPGYRQRDBNC-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine

1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine (PubChem CID 114069303) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine
PubChem CID114069303
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-n2ccnc2C)cc1Br
InChIInChI=1S/C14H18BrN3/c1-4-16-10(2)13-6-5-12(9-14(13)15)18-8-7-17-11(18)3/h5-10,16H,4H2,1-3H3
InChIKeyIYOVPGYRQRDBNC-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43284796
1-[2-bromo-4-(4-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 114069306
1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]propan-2-amine
CID 114061019
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
1-[2-bromo-4-(1H-imidazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 114069610
N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 63641006
1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 103901299
3-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-prop-2-enylaniline
CID 114069204
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
1-[3-bromo-4-(2-methylimidazol-1-yl)phenyl]butan-2-amine
CID 114063046
N-methyl-1-[4-(2-methylimidazol-1-yl)-2-pyridinyl]methanamine
CID 62292766

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine (CID 114069303) is 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-n2ccnc2C)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is IYOVPGYRQRDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-4-16-10(2)13-6-5-12(9-14(13)15)18-8-7-17-11(18)3/h5-10,16H,4H2,1-3H3.
What are the key properties of 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine?
1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 114069303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).