N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline

C12H19NO — CID 10976352

IUPACN-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline
SMILESCOC[C@H](C)Nc1c(C)cccc1C
InChIInChI=1S/C12H19NO/c1-9-6-5-7-10(2)12(9)13-11(3)8-14-4/h5-7,11,13H,8H2,1-4H3/t11-/m0/s1
InChIKeyQYJCGOLBBQDWFE-NSHDSACASA-N
MW193.29 g/mol
LogP2.75
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline

N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline (PubChem CID 10976352) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline
PubChem CID10976352
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline
SMILESCOC[C@H](C)Nc1c(C)cccc1C
InChIInChI=1S/C12H19NO/c1-9-6-5-7-10(2)12(9)13-11(3)8-14-4/h5-7,11,13H,8H2,1-4H3/t11-/m0/s1
InChIKeyQYJCGOLBBQDWFE-NSHDSACASA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline (CID 10976352) is N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline is COC[C@H](C)Nc1c(C)cccc1C.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline?
The InChIKey is QYJCGOLBBQDWFE-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-9-6-5-7-10(2)12(9)13-11(3)8-14-4/h5-7,11,13H,8H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline?
N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline has a molecular weight of 193.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2,6-dimethylaniline is sourced from PubChem (CID 10976352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).