3-(2,6-difluorophenyl)-N-methylbutan-2-amine

C11H15F2N — CID 66437420

IUPAC3-(2,6-difluorophenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)c1c(F)cccc1F
InChIInChI=1S/C11H15F2N/c1-7(8(2)14-3)11-9(12)5-4-6-10(11)13/h4-8,14H,1-3H3
InChIKeyOIMFLCMHJZTRRQ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.68
Rot. Bonds3

About 3-(2,6-difluorophenyl)-N-methylbutan-2-amine

3-(2,6-difluorophenyl)-N-methylbutan-2-amine (PubChem CID 66437420) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-methylbutan-2-amine
PubChem CID66437420
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-(2,6-difluorophenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)c1c(F)cccc1F
InChIInChI=1S/C11H15F2N/c1-7(8(2)14-3)11-9(12)5-4-6-10(11)13/h4-8,14H,1-3H3
InChIKeyOIMFLCMHJZTRRQ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine
CID 80605356
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2,6-difluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483206
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate
CID 102008925
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
CID 43286140
1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine
CID 115859728
1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 105149449
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 95001782

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-methylbutan-2-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-N-methylbutan-2-amine (CID 66437420) is 3-(2,6-difluorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-methylbutan-2-amine is CNC(C)C(C)c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-methylbutan-2-amine?
The InChIKey is OIMFLCMHJZTRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7(8(2)14-3)11-9(12)5-4-6-10(11)13/h4-8,14H,1-3H3.
What are the key properties of 3-(2,6-difluorophenyl)-N-methylbutan-2-amine?
3-(2,6-difluorophenyl)-N-methylbutan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 66437420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).