6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one

C15H23NO2 — CID 116574362

IUPAC6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
SMILESCOc1ccccc1C(=O)C(C)CCCC(C)N
InChIInChI=1S/C15H23NO2/c1-11(7-6-8-12(2)16)15(17)13-9-4-5-10-14(13)18-3/h4-5,9-12H,6-8,16H2,1-3H3
InChIKeyDFSYAPAVYLSZFW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds7

About 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one

6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one (PubChem CID 116574362) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
PubChem CID116574362
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
SMILESCOc1ccccc1C(=O)C(C)CCCC(C)N
InChIInChI=1S/C15H23NO2/c1-11(7-6-8-12(2)16)15(17)13-9-4-5-10-14(13)18-3/h4-5,9-12H,6-8,16H2,1-3H3
InChIKeyDFSYAPAVYLSZFW-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

5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
6-amino-1-(2-fluoro-3-methoxyphenyl)-2-methylheptan-1-one
CID 116574297
6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
CID 116574340
6-amino-1-(2,5-dimethoxyphenyl)-2-methylheptan-1-one
CID 116574273
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
CID 116574294
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one?
The IUPAC name of 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one (CID 116574362) is 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one.
What is the SMILES notation for 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one?
The canonical SMILES for 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one is COc1ccccc1C(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one?
The InChIKey is DFSYAPAVYLSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(7-6-8-12(2)16)15(17)13-9-4-5-10-14(13)18-3/h4-5,9-12H,6-8,16H2,1-3H3.
What are the key properties of 6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one?
6-amino-1-(2-methoxyphenyl)-2-methylheptan-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-(2-methoxyphenyl)-2-methylheptan-1-one is sourced from PubChem (CID 116574362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).