N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine

C19H29N3 — CID 150620895

IUPACN-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(-c2cnc(C(C)(C)C)[nH]2)c1C
InChIInChI=1S/C19H29N3/c1-7-22(8-2)13-15-10-9-11-16(14(15)3)17-12-20-18(21-17)19(4,5)6/h9-12H,7-8,13H2,1-6H3,(H,20,21)
InChIKeyIVWMZFPQTVATOY-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.52
Rot. Bonds5

About N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine

N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine (PubChem CID 150620895) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine
PubChem CID150620895
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(-c2cnc(C(C)(C)C)[nH]2)c1C
InChIInChI=1S/C19H29N3/c1-7-22(8-2)13-15-10-9-11-16(14(15)3)17-12-20-18(21-17)19(4,5)6/h9-12H,7-8,13H2,1-6H3,(H,20,21)
InChIKeyIVWMZFPQTVATOY-UHFFFAOYSA-N
XLogP4.52
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine (CID 150620895) is N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1cccc(-c2cnc(C(C)(C)C)[nH]2)c1C.
What is the InChIKey of N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine?
The InChIKey is IVWMZFPQTVATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-7-22(8-2)13-15-10-9-11-16(14(15)3)17-12-20-18(21-17)19(4,5)6/h9-12H,7-8,13H2,1-6H3,(H,20,21).
What are the key properties of N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine?
N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine has a molecular weight of 299.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-tert-butyl-1H-imidazol-5-yl)-2-methylphenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 150620895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).