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

C16H25NO2 — CID 116574340

IUPAC6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
SMILESCOc1ccc(C)cc1C(=O)C(C)CCCC(C)N
InChIInChI=1S/C16H25NO2/c1-11-8-9-15(19-4)14(10-11)16(18)12(2)6-5-7-13(3)17/h8-10,12-13H,5-7,17H2,1-4H3
InChIKeyBKZRMQLAANGRLW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.34
Rot. Bonds7

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

6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one (PubChem CID 116574340) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
PubChem CID116574340
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
SMILESCOc1ccc(C)cc1C(=O)C(C)CCCC(C)N
InChIInChI=1S/C16H25NO2/c1-11-8-9-15(19-4)14(10-11)16(18)12(2)6-5-7-13(3)17/h8-10,12-13H,5-7,17H2,1-4H3
InChIKeyBKZRMQLAANGRLW-UHFFFAOYSA-N
XLogP3.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-(2,5-dimethoxyphenyl)-2-methylheptan-1-one
CID 116574273
6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
CID 116574362
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
6-amino-1-(2-fluoro-3-methoxyphenyl)-2-methylheptan-1-one
CID 116574297
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
2-[(6-amino-2-methylheptanoyl)amino]-5-methylbenzoic acid
CID 65292299

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one?
The IUPAC name of 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one (CID 116574340) is 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one.
What is the SMILES notation for 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one?
The canonical SMILES for 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one is COc1ccc(C)cc1C(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one?
The InChIKey is BKZRMQLAANGRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-9-15(19-4)14(10-11)16(18)12(2)6-5-7-13(3)17/h8-10,12-13H,5-7,17H2,1-4H3.
What are the key properties of 6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one?
6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.34, 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)-2-methylheptan-1-one is sourced from PubChem (CID 116574340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).