7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one

C15H23NO2 — CID 116581758

IUPAC7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one
SMILESCOc1ccccc1CC(=O)CCC(C)CCN
InChIInChI=1S/C15H23NO2/c1-12(9-10-16)7-8-14(17)11-13-5-3-4-6-15(13)18-2/h3-6,12H,7-11,16H2,1-2H3
InChIKeyBPPZJWCKBDGJIE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.57
Rot. Bonds8

About 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one

7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one (PubChem CID 116581758) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one
PubChem CID116581758
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one
SMILESCOc1ccccc1CC(=O)CCC(C)CCN
InChIInChI=1S/C15H23NO2/c1-12(9-10-16)7-8-14(17)11-13-5-3-4-6-15(13)18-2/h3-6,12H,7-11,16H2,1-2H3
InChIKeyBPPZJWCKBDGJIE-UHFFFAOYSA-N
XLogP2.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55033188
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1-(2-methoxyphenyl)undecan-2-one
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1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
2-methylpentyl 2-(2-methoxyphenyl)acetate
CID 129279384
4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65487917
N-(5-amino-4-methylpentyl)-2-(2-methoxyphenyl)acetamide
CID 106152966
7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
CID 116581614
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one?
The IUPAC name of 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one (CID 116581758) is 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one.
What is the SMILES notation for 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one?
The canonical SMILES for 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one is COc1ccccc1CC(=O)CCC(C)CCN.
What is the InChIKey of 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one?
The InChIKey is BPPZJWCKBDGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(9-10-16)7-8-14(17)11-13-5-3-4-6-15(13)18-2/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one?
7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one is sourced from PubChem (CID 116581758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).