1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine

C17H25F2NO — CID 65018264

IUPAC1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1c(F)cc(OC)cc1F)C1CCCCCCC1
InChIInChI=1S/C17H25F2NO/c1-20-17(12-8-6-4-3-5-7-9-12)16-14(18)10-13(21-2)11-15(16)19/h10-12,17,20H,3-9H2,1-2H3
InChIKeyXAAZGKQFSHWHRG-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.59
Rot. Bonds4

About 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine

1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 65018264) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID65018264
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1c(F)cc(OC)cc1F)C1CCCCCCC1
InChIInChI=1S/C17H25F2NO/c1-20-17(12-8-6-4-3-5-7-9-12)16-14(18)10-13(21-2)11-15(16)19/h10-12,17,20H,3-9H2,1-2H3
InChIKeyXAAZGKQFSHWHRG-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 54880539
[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]cyclooctane
CID 65020983
1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
CID 43483009
1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105027599
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine
CID 55031798
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 103395598

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (CID 65018264) is 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1c(F)cc(OC)cc1F)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XAAZGKQFSHWHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-20-17(12-8-6-4-3-5-7-9-12)16-14(18)10-13(21-2)11-15(16)19/h10-12,17,20H,3-9H2,1-2H3.
What are the key properties of 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 297.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 65018264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).