1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine

C16H23N3O — CID 106566734

IUPAC1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cccc(OCC)c1
InChIInChI=1S/C16H23N3O/c1-4-6-10-19-12-13(3)17-16(19)18-14-8-7-9-15(11-14)20-5-2/h7-9,11-12H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyMYGFYDCSILUWKB-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.13
Rot. Bonds7

About 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine

1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine (PubChem CID 106566734) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
PubChem CID106566734
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cccc(OCC)c1
InChIInChI=1S/C16H23N3O/c1-4-6-10-19-12-13(3)17-16(19)18-14-8-7-9-15(11-14)20-5-2/h7-9,11-12H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyMYGFYDCSILUWKB-UHFFFAOYSA-N
XLogP4.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
CID 106564087
N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106558383
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine (CID 106566734) is 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1cccc(OCC)c1.
What is the InChIKey of 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine?
The InChIKey is MYGFYDCSILUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-6-10-19-12-13(3)17-16(19)18-14-8-7-9-15(11-14)20-5-2/h7-9,11-12H,4-6,10H2,1-3H3,(H,17,18).
What are the key properties of 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106566734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).