N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine

C17H25N3O — CID 63641006

IUPACN-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCn1ccnc1C
InChIInChI=1S/C17H25N3O/c1-5-18-14(3)16-7-6-13(2)12-17(16)21-11-10-20-9-8-19-15(20)4/h6-9,12,14,18H,5,10-11H2,1-4H3
InChIKeyBMXCWPCBTBYNBS-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.25
Rot. Bonds7

About N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine

N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 63641006) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
PubChem CID63641006
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCn1ccnc1C
InChIInChI=1S/C17H25N3O/c1-5-18-14(3)16-7-6-13(2)12-17(16)21-11-10-20-9-8-19-15(20)4/h6-9,12,14,18H,5,10-11H2,1-4H3
InChIKeyBMXCWPCBTBYNBS-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
CID 2935561
N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640480
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
N-ethyl-1-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 63640833
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640814
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
CID 106722324

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (CID 63641006) is N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is CCNC(C)c1ccc(C)cc1OCCn1ccnc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is BMXCWPCBTBYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-14(3)16-7-6-13(2)12-17(16)21-11-10-20-9-8-19-15(20)4/h6-9,12,14,18H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 63641006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).