N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline

C16H17F2NO — CID 43738958

IUPACN-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NCc2c(F)cccc2F)c1C
InChIInChI=1S/C16H17F2NO/c1-10-7-8-15(11(2)16(10)20-3)19-9-12-13(17)5-4-6-14(12)18/h4-8,19H,9H2,1-3H3
InChIKeyDTGLPHAMZFTLOI-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.20
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline

N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline (PubChem CID 43738958) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
PubChem CID43738958
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NCc2c(F)cccc2F)c1C
InChIInChI=1S/C16H17F2NO/c1-10-7-8-15(11(2)16(10)20-3)19-9-12-13(17)5-4-6-14(12)18/h4-8,19H,9H2,1-3H3
InChIKeyDTGLPHAMZFTLOI-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
CID 43741707
N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43432267
3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43739022
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
methyl 3-[(2,6-difluorophenyl)methylamino]-4-methylbenzoate
CID 43680485
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-2,4-dimethylaniline
CID 63446774
N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 66473407
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660
N-(2-ethylbutyl)-3-methoxy-2,4-dimethylaniline
CID 43738989
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
CID 112752565

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline (CID 43738958) is N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline is COc1c(C)ccc(NCc2c(F)cccc2F)c1C.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The InChIKey is DTGLPHAMZFTLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-7-8-15(11(2)16(10)20-3)19-9-12-13(17)5-4-6-14(12)18/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline has a molecular weight of 277.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline is sourced from PubChem (CID 43738958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).