4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one

C14H21NO2 — CID 116581195

IUPAC4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CC(C)(C)N
InChIInChI=1S/C14H21NO2/c1-10-5-6-13(17-4)11(7-10)8-12(16)9-14(2,3)15/h5-7H,8-9,15H2,1-4H3
InChIKeyBTHCXGXREIDPDE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds5

About 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one

4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one (PubChem CID 116581195) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
PubChem CID116581195
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CC(C)(C)N
InChIInChI=1S/C14H21NO2/c1-10-5-6-13(17-4)11(7-10)8-12(16)9-14(2,3)15/h5-7H,8-9,15H2,1-4H3
InChIKeyBTHCXGXREIDPDE-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1-tert-butylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 65133136
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 116555445
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
1-(2-methoxy-5-methylphenyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588701

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one (CID 116581195) is 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one is COc1ccc(C)cc1CC(=O)CC(C)(C)N.
What is the InChIKey of 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one?
The InChIKey is BTHCXGXREIDPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-6-13(17-4)11(7-10)8-12(16)9-14(2,3)15/h5-7H,8-9,15H2,1-4H3.
What are the key properties of 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one?
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 116581195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).