2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one

C14H21NO2 — CID 116594171

IUPAC2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-7-5-10(6-8-11)13(16)12(15)9-17-4/h5-8,12H,9,15H2,1-4H3
InChIKeyAFHNJNCYFNCENO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one

2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one (PubChem CID 116594171) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
PubChem CID116594171
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-7-5-10(6-8-11)13(16)12(15)9-17-4/h5-8,12H,9,15H2,1-4H3
InChIKeyAFHNJNCYFNCENO-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
1-methoxypropan-2-yl 4-tert-butylbenzoate
CID 90150933
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
CID 107291086
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
2-bromo-1-(4-tert-butylphenyl)butan-1-one
CID 63386110

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one (CID 116594171) is 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one is COCC(N)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one?
The InChIKey is AFHNJNCYFNCENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)11-7-5-10(6-8-11)13(16)12(15)9-17-4/h5-8,12H,9,15H2,1-4H3.
What are the key properties of 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one?
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 116594171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).