1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one

C15H21N3O2 — CID 80581760

IUPAC1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(CN)ccc2OC)c1=O
InChIInChI=1S/C15H21N3O2/c1-3-6-17-7-8-18(15(17)19)11-13-9-12(10-16)4-5-14(13)20-2/h4-5,7-9H,3,6,10-11,16H2,1-2H3
InChIKeyGLLIIBHBZXMDFN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.58
Rot. Bonds6

About 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one

1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one (PubChem CID 80581760) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
PubChem CID80581760
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(CN)ccc2OC)c1=O
InChIInChI=1S/C15H21N3O2/c1-3-6-17-7-8-18(15(17)19)11-13-9-12(10-16)4-5-14(13)20-2/h4-5,7-9H,3,6,10-11,16H2,1-2H3
InChIKeyGLLIIBHBZXMDFN-UHFFFAOYSA-N
XLogP1.58
TPSA62.18 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80580041
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80583236
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine
CID 64646888
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875
1-ethyl-3-[[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]methyl]imidazol-2-one
CID 80580206
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one
CID 65338865
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548362
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one (CID 80581760) is 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cc(CN)ccc2OC)c1=O.
What is the InChIKey of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one?
The InChIKey is GLLIIBHBZXMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-6-17-7-8-18(15(17)19)11-13-9-12(10-16)4-5-14(13)20-2/h4-5,7-9H,3,6,10-11,16H2,1-2H3.
What are the key properties of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one?
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).