6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one

C14H21NO2 — CID 116572089

IUPAC6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CCCCN
InChIInChI=1S/C14H21NO2/c1-11-6-7-14(17-2)12(9-11)10-13(16)5-3-4-8-15/h6-7,9H,3-5,8,10,15H2,1-2H3
InChIKeyIHEYANZVWFWQDA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds7

About 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one

6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one (PubChem CID 116572089) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
PubChem CID116572089
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CCCCN
InChIInChI=1S/C14H21NO2/c1-11-6-7-14(17-2)12(9-11)10-13(16)5-3-4-8-15/h6-7,9H,3-5,8,10,15H2,1-2H3
InChIKeyIHEYANZVWFWQDA-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
1-(5-chloro-2-methoxyphenyl)undecan-2-one
CID 114968573
1-(2-methoxy-5-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146844
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782
4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one
CID 105085257
1-tert-butylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 65133136

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one?
The IUPAC name of 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one (CID 116572089) is 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one?
The canonical SMILES for 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one is COc1ccc(C)cc1CC(=O)CCCCN.
What is the InChIKey of 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one?
The InChIKey is IHEYANZVWFWQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-6-7-14(17-2)12(9-11)10-13(16)5-3-4-8-15/h6-7,9H,3-5,8,10,15H2,1-2H3.
What are the key properties of 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one?
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one is sourced from PubChem (CID 116572089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).