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

C14H21NO2 — CID 116553575

IUPAC2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)C(N)CC(C)C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-9(2)7-13(15)14(16)12-6-5-11(17-4)8-10(12)3/h5-6,8-9,13H,7,15H2,1-4H3
InChIKeyFSISDVHLPNUDNE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.56
Rot. Bonds5

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

2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one (PubChem CID 116553575) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
PubChem CID116553575
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)C(N)CC(C)C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-9(2)7-13(15)14(16)12-6-5-11(17-4)8-10(12)3/h5-6,8-9,13H,7,15H2,1-4H3
InChIKeyFSISDVHLPNUDNE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
CID 104891125
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107514837
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
4-(4-methoxy-2-methylphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82349839
(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one (CID 116553575) is 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one is COc1ccc(C(=O)C(N)CC(C)C)c(C)c1.
What is the InChIKey of 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
The InChIKey is FSISDVHLPNUDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)7-13(15)14(16)12-6-5-11(17-4)8-10(12)3/h5-6,8-9,13H,7,15H2,1-4H3.
What are the key properties of 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 116553575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).