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

C12H17NO2 — CID 116859676

IUPAC1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
SMILESCCOc1ccc(C(N)C(C)=O)cc1C
InChIInChI=1S/C12H17NO2/c1-4-15-11-6-5-10(7-8(11)2)12(13)9(3)14/h5-7,12H,4,13H2,1-3H3
InChIKeyIVMPMSXDIJZTBF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.98
Rot. Bonds4

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

1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one (PubChem CID 116859676) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
PubChem CID116859676
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
SMILESCCOc1ccc(C(N)C(C)=O)cc1C
InChIInChI=1S/C12H17NO2/c1-4-15-11-6-5-10(7-8(11)2)12(13)9(3)14/h5-7,12H,4,13H2,1-3H3
InChIKeyIVMPMSXDIJZTBF-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851317
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
2-[amino-(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanoic acid
CID 116945196
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
3-(4-ethoxy-3-methylphenyl)butanoic acid
CID 82286931
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one?
The IUPAC name of 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one (CID 116859676) is 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one is CCOc1ccc(C(N)C(C)=O)cc1C.
What is the InChIKey of 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one?
The InChIKey is IVMPMSXDIJZTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-11-6-5-10(7-8(11)2)12(13)9(3)14/h5-7,12H,4,13H2,1-3H3.
What are the key properties of 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one?
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one is sourced from PubChem (CID 116859676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).