6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one

C15H23NO2 — CID 116574854

IUPAC6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
SMILESCOc1ccc(C(=O)CCC(C)(C)CCN)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,10-11-16)9-8-14(17)12-4-6-13(18-3)7-5-12/h4-7H,8-11,16H2,1-3H3
InChIKeyGVXBNAIPAZSMND-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds7

About 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one

6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one (PubChem CID 116574854) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
PubChem CID116574854
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
SMILESCOc1ccc(C(=O)CCC(C)(C)CCN)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,10-11-16)9-8-14(17)12-4-6-13(18-3)7-5-12/h4-7H,8-11,16H2,1-3H3
InChIKeyGVXBNAIPAZSMND-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119523024
6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one?
The IUPAC name of 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one (CID 116574854) is 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one.
What is the SMILES notation for 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one?
The canonical SMILES for 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one is COc1ccc(C(=O)CCC(C)(C)CCN)cc1.
What is the InChIKey of 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one?
The InChIKey is GVXBNAIPAZSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,10-11-16)9-8-14(17)12-4-6-13(18-3)7-5-12/h4-7H,8-11,16H2,1-3H3.
What are the key properties of 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one?
6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one has a molecular weight of 249.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one is sourced from PubChem (CID 116574854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).