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

C14H19F2NO — CID 104611051

IUPAC1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1(OC)CCCC1
InChIInChI=1S/C14H19F2NO/c1-17-13(14(18-2)8-3-4-9-14)12-10(15)6-5-7-11(12)16/h5-7,13,17H,3-4,8-9H2,1-2H3
InChIKeyCGKQCYSOARPMIX-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.18
Rot. Bonds4

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

1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine (PubChem CID 104611051) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
PubChem CID104611051
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1(OC)CCCC1
InChIInChI=1S/C14H19F2NO/c1-17-13(14(18-2)8-3-4-9-14)12-10(15)6-5-7-11(12)16/h5-7,13,17H,3-4,8-9H2,1-2H3
InChIKeyCGKQCYSOARPMIX-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457
[(2-chloro-6-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 114275469
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
[(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-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine (CID 104611051) is 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine is CNC(c1c(F)cccc1F)C1(OC)CCCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The InChIKey is CGKQCYSOARPMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-17-13(14(18-2)8-3-4-9-14)12-10(15)6-5-7-11(12)16/h5-7,13,17H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.18, 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-methoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 104611051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).