1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine

C15H23NO — CID 65081298

IUPAC1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
SMILESCOc1ccccc1C1(N)CCCC(C)CC1
InChIInChI=1S/C15H23NO/c1-12-6-5-10-15(16,11-9-12)13-7-3-4-8-14(13)17-2/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3
InChIKeyXLAAPTXASNGWSE-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.45
Rot. Bonds2

About 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine

1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine (PubChem CID 65081298) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
PubChem CID65081298
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
SMILESCOc1ccccc1C1(N)CCCC(C)CC1
InChIInChI=1S/C15H23NO/c1-12-6-5-10-15(16,11-9-12)13-7-3-4-8-14(13)17-2/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3
InChIKeyXLAAPTXASNGWSE-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine (CID 65081298) is 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine is COc1ccccc1C1(N)CCCC(C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine?
The InChIKey is XLAAPTXASNGWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-5-10-15(16,11-9-12)13-7-3-4-8-14(13)17-2/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine?
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65081298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).