N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine

C16H23N3O — CID 61493032

IUPACN-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCCn1ccnc1C
InChIInChI=1S/C16H23N3O/c1-12-5-6-16(15(11-12)13(2)17-4)20-10-9-19-8-7-18-14(19)3/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyIWGWKPFSVNNCDX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.86
Rot. Bonds6

About N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine

N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 61493032) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
PubChem CID61493032
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCCn1ccnc1C
InChIInChI=1S/C16H23N3O/c1-12-5-6-16(15(11-12)13(2)17-4)20-10-9-19-8-7-18-14(19)3/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyIWGWKPFSVNNCDX-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 63641006
2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
CID 2935561
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
CID 63324827
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
5-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54966103
1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898565
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
(1R)-1-[2-[2-(2-methylimidazol-1-yl)ethoxy]-5-nitrophenyl]ethanol
CID 104890022
N-methyl-1-[5-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 116615019

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (CID 61493032) is N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is CNC(C)c1cc(C)ccc1OCCn1ccnc1C.
What is the InChIKey of N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is IWGWKPFSVNNCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-5-6-16(15(11-12)13(2)17-4)20-10-9-19-8-7-18-14(19)3/h5-8,11,13,17H,9-10H2,1-4H3.
What are the key properties of N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 61493032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).