N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine

C13H17F2NO — CID 113491017

IUPACN-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine
SMILESCC1(NCc2c(F)cccc2F)CCOCC1
InChIInChI=1S/C13H17F2NO/c1-13(5-7-17-8-6-13)16-9-10-11(14)3-2-4-12(10)15/h2-4,16H,5-9H2,1H3
InChIKeyWRSNYKLTMQZWNF-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.62
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine

N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine (PubChem CID 113491017) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine
PubChem CID113491017
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine
SMILESCC1(NCc2c(F)cccc2F)CCOCC1
InChIInChI=1S/C13H17F2NO/c1-13(5-7-17-8-6-13)16-9-10-11(14)3-2-4-12(10)15/h2-4,16H,5-9H2,1H3
InChIKeyWRSNYKLTMQZWNF-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
2-fluoro-5-[[(4-methyloxan-4-yl)amino]methyl]benzonitrile
CID 107880462
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680411
[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
CID 115758150
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
4-methyl-N-(quinolin-2-ylmethyl)oxan-4-amine
CID 115757945

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine (CID 113491017) is N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine is CC1(NCc2c(F)cccc2F)CCOCC1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine?
The InChIKey is WRSNYKLTMQZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(5-7-17-8-6-13)16-9-10-11(14)3-2-4-12(10)15/h2-4,16H,5-9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine?
N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine has a molecular weight of 241.28 g/mol, XLogP of 2.62, 3 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]-4-methyloxan-4-amine is sourced from PubChem (CID 113491017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).