(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine

C12H17F2NO — CID 95001782

IUPAC(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC[C@@H](OC(C)C)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-8(2)16-11(7-15-3)12-9(13)5-4-6-10(12)14/h4-6,8,11,15H,7H2,1-3H3/t11-/m1/s1
InChIKeyKYPKZPDFSUNAJJ-LLVKDONJSA-N
MW229.27 g/mol
LogP2.65
Rot. Bonds5

About (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine

(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 95001782) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID95001782
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC[C@@H](OC(C)C)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-8(2)16-11(7-15-3)12-9(13)5-4-6-10(12)14/h4-6,8,11,15H,7H2,1-3H3/t11-/m1/s1
InChIKeyKYPKZPDFSUNAJJ-LLVKDONJSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276269
2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276085
2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62107488
3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81016538
2-(4-ethoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276270
(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
CID 94405357
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
3-(2,6-difluorophenyl)-N-methylbutan-2-amine
CID 66437420
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
CID 117293115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine (CID 95001782) is (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine is CNC[C@@H](OC(C)C)c1c(F)cccc1F.
What is the InChIKey of (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is KYPKZPDFSUNAJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)16-11(7-15-3)12-9(13)5-4-6-10(12)14/h4-6,8,11,15H,7H2,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 95001782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).