1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

C16H17F2NO — CID 114930094

IUPAC1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-11-6-7-16(12(8-11)9-19-2)20-10-13-14(17)4-3-5-15(13)18/h3-8,19H,9-10H2,1-2H3
InChIKeyNRMQXVRGNDEMRT-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.57
Rot. Bonds5

About 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (PubChem CID 114930094) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
PubChem CID114930094
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-11-6-7-16(12(8-11)9-19-2)20-10-13-14(17)4-3-5-15(13)18/h3-8,19H,9-10H2,1-2H3
InChIKeyNRMQXVRGNDEMRT-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 63323237
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
4-fluoro-2-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902701
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 114930658
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
3-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63323490

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (CID 114930094) is 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1OCc1c(F)cccc1F.
What is the InChIKey of 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The InChIKey is NRMQXVRGNDEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-6-7-16(12(8-11)9-19-2)20-10-13-14(17)4-3-5-15(13)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 114930094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).