3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one

C12H17NO3 — CID 117319761

IUPAC3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
SMILESCCOc1cc(OC)ccc1C(=O)CCN
InChIInChI=1S/C12H17NO3/c1-3-16-12-8-9(15-2)4-5-10(12)11(14)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyXLDZTDNQAOOENQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.63
Rot. Bonds6

About 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one

3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one (PubChem CID 117319761) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
PubChem CID117319761
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
SMILESCCOc1cc(OC)ccc1C(=O)CCN
InChIInChI=1S/C12H17NO3/c1-3-16-12-8-9(15-2)4-5-10(12)11(14)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyXLDZTDNQAOOENQ-UHFFFAOYSA-N
XLogP1.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
CID 117329949
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
3-(2,4-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698324
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8023897
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one (CID 117319761) is 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one is CCOc1cc(OC)ccc1C(=O)CCN.
What is the InChIKey of 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one?
The InChIKey is XLDZTDNQAOOENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-12-8-9(15-2)4-5-10(12)11(14)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one?
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one has a molecular weight of 223.27 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117319761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).