N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine

C16H23N3 — CID 62129142

IUPACN-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine
SMILESCCc1nccn1-c1ccc(CNC(C)C)c(C)c1
InChIInChI=1S/C16H23N3/c1-5-16-17-8-9-19(16)15-7-6-14(13(4)10-15)11-18-12(2)3/h6-10,12,18H,5,11H2,1-4H3
InChIKeyYXWNCYKXUFZBIC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.24
Rot. Bonds5

About N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine

N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine (PubChem CID 62129142) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine
PubChem CID62129142
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine
SMILESCCc1nccn1-c1ccc(CNC(C)C)c(C)c1
InChIInChI=1S/C16H23N3/c1-5-16-17-8-9-19(16)15-7-6-14(13(4)10-15)11-18-12(2)3/h6-10,12,18H,5,11H2,1-4H3
InChIKeyYXWNCYKXUFZBIC-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine (CID 62129142) is N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine is CCc1nccn1-c1ccc(CNC(C)C)c(C)c1.
What is the InChIKey of N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine?
The InChIKey is YXWNCYKXUFZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-16-17-8-9-19(16)15-7-6-14(13(4)10-15)11-18-12(2)3/h6-10,12,18H,5,11H2,1-4H3.
What are the key properties of N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine?
N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 62129142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).