N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine

C17H25N3O — CID 63640480

IUPACN-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCc1nccn1CC
InChIInChI=1S/C17H25N3O/c1-5-18-14(4)15-8-7-13(3)11-16(15)21-12-17-19-9-10-20(17)6-2/h7-11,14,18H,5-6,12H2,1-4H3
InChIKeyLPKBNLSWQRFFSN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine

N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 63640480) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
PubChem CID63640480
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCc1nccn1CC
InChIInChI=1S/C17H25N3O/c1-5-18-14(4)15-8-7-13(3)11-16(15)21-12-17-19-9-10-20(17)6-2/h7-11,14,18H,5-6,12H2,1-4H3
InChIKeyLPKBNLSWQRFFSN-UHFFFAOYSA-N
XLogP3.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 63641006
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640814
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
N-ethyl-1-[4-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 63640834
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 63641162
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
N-ethyl-1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79262667
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine (CID 63640480) is N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine is CCNC(C)c1ccc(C)cc1OCc1nccn1CC.
What is the InChIKey of N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is LPKBNLSWQRFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-14(4)15-8-7-13(3)11-16(15)21-12-17-19-9-10-20(17)6-2/h7-11,14,18H,5-6,12H2,1-4H3.
What are the key properties of N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine?
N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 63640480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).