2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone

C13H19NO2 — CID 82048891

IUPAC2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)cc1C(C)(C)C
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-7-9(11(15)8-14)5-6-12(10)16-4/h5-7H,8,14H2,1-4H3
InChIKeyWSJKFJGLJCWECB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone

2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone (PubChem CID 82048891) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
PubChem CID82048891
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)cc1C(C)(C)C
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-7-9(11(15)8-14)5-6-12(10)16-4/h5-7H,8,14H2,1-4H3
InChIKeyWSJKFJGLJCWECB-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)-2-sulfanylethanone
CID 82129796
1-(3-tert-butyl-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 95468528
5-(3-tert-butyl-4-methoxyphenyl)-5-oxopentanoic acid
CID 82050031
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239
1-(3-tert-butyl-4-methoxyphenyl)-3-methylbutane-1,2-dione
CID 94693468
3-tert-butyl-4-methoxy-N-propylbenzamide
CID 110761278
[4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate
CID 21474532
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanenitrile
CID 116919316
(E)-3-(3-tert-butyl-4-methoxyphenyl)but-2-enoic acid
CID 82049439

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone (CID 82048891) is 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN)cc1C(C)(C)C.
What is the InChIKey of 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone?
The InChIKey is WSJKFJGLJCWECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)10-7-9(11(15)8-14)5-6-12(10)16-4/h5-7H,8,14H2,1-4H3.
What are the key properties of 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone?
2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone is sourced from PubChem (CID 82048891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).