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

C16H23N3 — CID 115860159

IUPAC1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1nccn1CC
InChIInChI=1S/C16H23N3/c1-4-14(13-9-7-6-8-10-13)15(17-3)16-18-11-12-19(16)5-2/h6-12,14-15,17H,4-5H2,1-3H3
InChIKeyYOSFCHWOKKKUMK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.36
Rot. Bonds6

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

1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 115860159) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
PubChem CID115860159
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1nccn1CC
InChIInChI=1S/C16H23N3/c1-4-14(13-9-7-6-8-10-13)15(17-3)16-18-11-12-19(16)5-2/h6-12,14-15,17H,4-5H2,1-3H3
InChIKeyYOSFCHWOKKKUMK-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-(2-ethylpyrazol-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 115858001
2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79495582
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
CID 79761574
3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
CID 110460025
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 116757187
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine (CID 115860159) is 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1nccn1CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is YOSFCHWOKKKUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-14(13-9-7-6-8-10-13)15(17-3)16-18-11-12-19(16)5-2/h6-12,14-15,17H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine?
1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 115860159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).