N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine

C15H21N3O2 — CID 107975141

IUPACN-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)cn1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-16-15(13-9-18(2)10-17-13)12-8-11(19-3)6-7-14(12)20-4/h6-10,15-16H,5H2,1-4H3
InChIKeyRGXDSFOICFVPNV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.14
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine

N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 107975141) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
PubChem CID107975141
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)cn1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-16-15(13-9-18(2)10-17-13)12-8-11(19-3)6-7-14(12)20-4/h6-10,15-16H,5H2,1-4H3
InChIKeyRGXDSFOICFVPNV-UHFFFAOYSA-N
XLogP2.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923564
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975481
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510
N-[(1-methylimidazol-4-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107975197
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107973755
N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923601
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974741

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine (CID 107975141) is N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cn(C)cn1)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is RGXDSFOICFVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-16-15(13-9-18(2)10-17-13)12-8-11(19-3)6-7-14(12)20-4/h6-10,15-16H,5H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107975141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).