1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one

C15H23N3O3 — CID 43472113

IUPAC1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one
SMILESCCCOc1ccc(CN)c(OCCN2CCNC2=O)c1
InChIInChI=1S/C15H23N3O3/c1-2-8-20-13-4-3-12(11-16)14(10-13)21-9-7-18-6-5-17-15(18)19/h3-4,10H,2,5-9,11,16H2,1H3,(H,17,19)
InChIKeyMRVJPFSMXXUNQO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.34
Rot. Bonds8

About 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one

1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one (PubChem CID 43472113) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one
PubChem CID43472113
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one
SMILESCCCOc1ccc(CN)c(OCCN2CCNC2=O)c1
InChIInChI=1S/C15H23N3O3/c1-2-8-20-13-4-3-12(11-16)14(10-13)21-9-7-18-6-5-17-15(18)19/h3-4,10H,2,5-9,11,16H2,1H3,(H,17,19)
InChIKeyMRVJPFSMXXUNQO-UHFFFAOYSA-N
XLogP1.34
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one
CID 83133891
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
1-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethyl]imidazolidin-2-one
CID 107684155
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
1-[2-(1-methylpyrazol-4-yl)oxyethyl]imidazolidin-2-one
CID 116793935
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
CID 28967044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one (CID 43472113) is 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one is CCCOc1ccc(CN)c(OCCN2CCNC2=O)c1.
What is the InChIKey of 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one?
The InChIKey is MRVJPFSMXXUNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-8-20-13-4-3-12(11-16)14(10-13)21-9-7-18-6-5-17-15(18)19/h3-4,10H,2,5-9,11,16H2,1H3,(H,17,19).
What are the key properties of 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one?
1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 43472113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).