3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one

C14H21NO2 — CID 116915679

IUPAC3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
SMILESCCc1ccc(OC)c(C(=O)C(C)(C)CN)c1
InChIInChI=1S/C14H21NO2/c1-5-10-6-7-12(17-4)11(8-10)13(16)14(2,3)9-15/h6-8H,5,9,15H2,1-4H3
InChIKeyGZXYYMRQCBPEGW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds5

About 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one

3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one (PubChem CID 116915679) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
PubChem CID116915679
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
SMILESCCc1ccc(OC)c(C(=O)C(C)(C)CN)c1
InChIInChI=1S/C14H21NO2/c1-5-10-6-7-12(17-4)11(8-10)13(16)14(2,3)9-15/h6-8H,5,9,15H2,1-4H3
InChIKeyGZXYYMRQCBPEGW-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methoxybenzoic acid
CID 20721149
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
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CID 110761959
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
5-ethyl-2-methoxybenzenecarboximidamide
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N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869
4-ethyl-2-methoxybenzoic acid
CID 18687349
N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide
CID 110812489
methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
CID 58884067

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one (CID 116915679) is 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one is CCc1ccc(OC)c(C(=O)C(C)(C)CN)c1.
What is the InChIKey of 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is GZXYYMRQCBPEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-10-6-7-12(17-4)11(8-10)13(16)14(2,3)9-15/h6-8H,5,9,15H2,1-4H3.
What are the key properties of 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one?
3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 116915679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).