2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine

C15H23NO3 — CID 43589856

IUPAC2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine
SMILESCOc1cc(OC)cc(OC2CCCCCC2N)c1
InChIInChI=1S/C15H23NO3/c1-17-11-8-12(18-2)10-13(9-11)19-15-7-5-3-4-6-14(15)16/h8-10,14-15H,3-7,16H2,1-2H3
InChIKeyMZSHQUCQHCZQCS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.74
Rot. Bonds4

About 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine

2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine (PubChem CID 43589856) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine
PubChem CID43589856
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine
SMILESCOc1cc(OC)cc(OC2CCCCCC2N)c1
InChIInChI=1S/C15H23NO3/c1-17-11-8-12(18-2)10-13(9-11)19-15-7-5-3-4-6-14(15)16/h8-10,14-15H,3-7,16H2,1-2H3
InChIKeyMZSHQUCQHCZQCS-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine (CID 43589856) is 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine is COc1cc(OC)cc(OC2CCCCCC2N)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine?
The InChIKey is MZSHQUCQHCZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-11-8-12(18-2)10-13(9-11)19-15-7-5-3-4-6-14(15)16/h8-10,14-15H,3-7,16H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine?
2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine is sourced from PubChem (CID 43589856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).