4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline

C14H18BrN3O — CID 62352412

IUPAC4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline
SMILESCCn1ccnc1CNc1c(C)cc(Br)cc1OC
InChIInChI=1S/C14H18BrN3O/c1-4-18-6-5-16-13(18)9-17-14-10(2)7-11(15)8-12(14)19-3/h5-8,17H,4,9H2,1-3H3
InChIKeyMPUKEPOPRHGXEM-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.59
Rot. Bonds5

About 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline

4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline (PubChem CID 62352412) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline
PubChem CID62352412
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline
SMILESCCn1ccnc1CNc1c(C)cc(Br)cc1OC
InChIInChI=1S/C14H18BrN3O/c1-4-18-6-5-16-13(18)9-17-14-10(2)7-11(15)8-12(14)19-3/h5-8,17H,4,9H2,1-3H3
InChIKeyMPUKEPOPRHGXEM-UHFFFAOYSA-N
XLogP3.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline (CID 62352412) is 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline is CCn1ccnc1CNc1c(C)cc(Br)cc1OC.
What is the InChIKey of 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline?
The InChIKey is MPUKEPOPRHGXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-4-18-6-5-16-13(18)9-17-14-10(2)7-11(15)8-12(14)19-3/h5-8,17H,4,9H2,1-3H3.
What are the key properties of 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline?
4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline has a molecular weight of 324.22 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline is sourced from PubChem (CID 62352412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).