1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine

C16H23F2NO — CID 116770190

IUPAC1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1(OC)CCCCCC1
InChIInChI=1S/C16H23F2NO/c1-19-15(14-12(17)8-7-9-13(14)18)16(20-2)10-5-3-4-6-11-16/h7-9,15,19H,3-6,10-11H2,1-2H3
InChIKeyOTZNWSQDWDDSHJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds4

About 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine

1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine (PubChem CID 116770190) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
PubChem CID116770190
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1(OC)CCCCCC1
InChIInChI=1S/C16H23F2NO/c1-19-15(14-12(17)8-7-9-13(14)18)16(20-2)10-5-3-4-6-11-16/h7-9,15,19H,3-6,10-11H2,1-2H3
InChIKeyOTZNWSQDWDDSHJ-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611051
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457
[(2-chloro-6-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 114275469
[(2,3-difluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278208
[(2-fluorophenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275988
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611026
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine (CID 116770190) is 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine is CNC(c1c(F)cccc1F)C1(OC)CCCCCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The InChIKey is OTZNWSQDWDDSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-19-15(14-12(17)8-7-9-13(14)18)16(20-2)10-5-3-4-6-11-16/h7-9,15,19H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 116770190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).