2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine

C16H25NO2 — CID 116811017

IUPAC2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1c(OC)cccc1OC
InChIInChI=1S/C16H25NO2/c1-17-13-9-6-4-5-8-12(13)16-14(18-2)10-7-11-15(16)19-3/h7,10-13,17H,4-6,8-9H2,1-3H3
InChIKeyLPUBPCSBMFUCNK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.34
Rot. Bonds4

About 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine

2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine (PubChem CID 116811017) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
PubChem CID116811017
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1c(OC)cccc1OC
InChIInChI=1S/C16H25NO2/c1-17-13-9-6-4-5-8-12(13)16-14(18-2)10-7-11-15(16)19-3/h7,10-13,17H,4-6,8-9H2,1-3H3
InChIKeyLPUBPCSBMFUCNK-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine (CID 116811017) is 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1c1c(OC)cccc1OC.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
The InChIKey is LPUBPCSBMFUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-13-9-6-4-5-8-12(13)16-14(18-2)10-7-11-15(16)19-3/h7,10-13,17H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 116811017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).