N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine

C16H23N3O — CID 114527280

IUPACN-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCCc1nccn1C
InChIInChI=1S/C16H23N3O/c1-4-17-12-14-7-5-6-13(2)16(14)20-11-8-15-18-9-10-19(15)3/h5-7,9-10,17H,4,8,11-12H2,1-3H3
InChIKeyJCGLETNWZPSCNZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds7

About N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 114527280) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID114527280
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCCc1nccn1C
InChIInChI=1S/C16H23N3O/c1-4-17-12-14-7-5-6-13(2)16(14)20-11-8-15-18-9-10-19(15)3/h5-7,9-10,17H,4,8,11-12H2,1-3H3
InChIKeyJCGLETNWZPSCNZ-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041605
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115953317
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120
N-[[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527230
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine (CID 114527280) is N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCCc1nccn1C.
What is the InChIKey of N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is JCGLETNWZPSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-17-12-14-7-5-6-13(2)16(14)20-11-8-15-18-9-10-19(15)3/h5-7,9-10,17H,4,8,11-12H2,1-3H3.
What are the key properties of N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 114527280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).