N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

C17H25N3O — CID 114530024

IUPACN-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCNC(CCc1nccn1C)Cc1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-4-18-15(9-10-17-19-11-12-20(17)2)13-14-7-5-6-8-16(14)21-3/h5-8,11-12,15,18H,4,9-10,13H2,1-3H3
InChIKeyFYBJYXNWONXGFN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.58
Rot. Bonds8

About N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 114530024) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID114530024
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCNC(CCc1nccn1C)Cc1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-4-18-15(9-10-17-19-11-12-20(17)2)13-14-7-5-6-8-16(14)21-3/h5-8,11-12,15,18H,4,9-10,13H2,1-3H3
InChIKeyFYBJYXNWONXGFN-UHFFFAOYSA-N
XLogP2.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530047
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61210525
N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204984
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (CID 114530024) is N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is CCNC(CCc1nccn1C)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is FYBJYXNWONXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-18-15(9-10-17-19-11-12-20(17)2)13-14-7-5-6-8-16(14)21-3/h5-8,11-12,15,18H,4,9-10,13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 114530024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).