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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Related Compounds

2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82811854
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
CID 104662480
2-(5-fluoro-2-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82782828
2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine
CID 103434249
2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
CID 103523805
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine
CID 64674288
7-methoxy-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
CID 83830365

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).