4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine

C16H23N3 — CID 79761574

IUPAC4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
SMILESCCn1ccnc1CCCC(NC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-19-13-12-18-16(19)11-7-10-15(17-2)14-8-5-4-6-9-14/h4-6,8-9,12-13,15,17H,3,7,10-11H2,1-2H3
InChIKeySAUOBJPQDBWGCG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.19
Rot. Bonds7

About 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine

4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine (PubChem CID 79761574) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
PubChem CID79761574
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
SMILESCCn1ccnc1CCCC(NC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-19-13-12-18-16(19)11-7-10-15(17-2)14-8-5-4-6-9-14/h4-6,8-9,12-13,15,17H,3,7,10-11H2,1-2H3
InChIKeySAUOBJPQDBWGCG-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
CID 114532132
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine
CID 81027997
2-(1-ethylimidazol-2-yl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105009546
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009061
1-cyclopropyl-N-ethyl-4-(1-ethylimidazol-2-yl)butan-1-amine
CID 79762173
1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 115860159

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine?
The IUPAC name of 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine (CID 79761574) is 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine is CCn1ccnc1CCCC(NC)c1ccccc1.
What is the InChIKey of 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine?
The InChIKey is SAUOBJPQDBWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19-13-12-18-16(19)11-7-10-15(17-2)14-8-5-4-6-9-14/h4-6,8-9,12-13,15,17H,3,7,10-11H2,1-2H3.
What are the key properties of 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine?
4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 79761574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).