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

C15H21F2NO — CID 54880539

IUPAC1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1c(F)cc(OC)cc1F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-18-15(10-6-4-3-5-7-10)14-12(16)8-11(19-2)9-13(14)17/h8-10,15,18H,3-7H2,1-2H3
InChIKeyUPXPFOGQGZXFCT-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.81
Rot. Bonds4

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

1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 54880539) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID54880539
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1c(F)cc(OC)cc1F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-18-15(10-6-4-3-5-7-10)14-12(16)8-11(19-2)9-13(14)17/h8-10,15,18H,3-7H2,1-2H3
InChIKeyUPXPFOGQGZXFCT-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 65018264
[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-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (CID 54880539) is 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1c(F)cc(OC)cc1F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is UPXPFOGQGZXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-18-15(10-6-4-3-5-7-10)14-12(16)8-11(19-2)9-13(14)17/h8-10,15,18H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 54880539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).