1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine

C17H25F2NO — CID 116769457

IUPAC1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H25F2NO/c1-16(2)8-10-17(21-4,11-9-16)15(20-3)14-12(18)6-5-7-13(14)19/h5-7,15,20H,8-11H2,1-4H3
InChIKeyUBONEKPKCRFUHL-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.21
Rot. Bonds4

About 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine

1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 116769457) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID116769457
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H25F2NO/c1-16(2)8-10-17(21-4,11-9-16)15(20-3)14-12(18)6-5-7-13(14)19/h5-7,15,20H,8-11H2,1-4H3
InChIKeyUBONEKPKCRFUHL-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine
CID 116769486
[(2-chloro-6-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 114275469
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768668
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114689347
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
[(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277963

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine (CID 116769457) is 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1c(F)cccc1F)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is UBONEKPKCRFUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-16(2)8-10-17(21-4,11-9-16)15(20-3)14-12(18)6-5-7-13(14)19/h5-7,15,20H,8-11H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 297.39 g/mol, XLogP of 4.21, 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-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116769457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).