N-(1-methoxypropan-2-yl)-2,6-dimethylaniline

C12H19NO — CID 10899497

IUPACN-(1-methoxypropan-2-yl)-2,6-dimethylaniline
SMILESCOCC(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
InChIKeyQYJCGOLBBQDWFE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.75
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-2,6-dimethylaniline (PubChem CID 10899497) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,6-dimethylaniline
PubChem CID10899497
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(1-methoxypropan-2-yl)-2,6-dimethylaniline
SMILESCOCC(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
InChIKeyQYJCGOLBBQDWFE-UHFFFAOYSA-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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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
2-N-(4-methoxybutan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550603
2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen
CID 158531933
3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 90001609
N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline
CID 59080054
3-(2,6-dimethylanilino)butanethioamide
CID 82080364
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,6-dimethylaniline?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,6-dimethylaniline (CID 10899497) is N-(1-methoxypropan-2-yl)-2,6-dimethylaniline.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,6-dimethylaniline?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,6-dimethylaniline is COCC(C)Nc1c(C)cccc1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,6-dimethylaniline?
The InChIKey is QYJCGOLBBQDWFE-UHFFFAOYSA-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.
What are the key properties of N-(1-methoxypropan-2-yl)-2,6-dimethylaniline?
N-(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-(1-methoxypropan-2-yl)-2,6-dimethylaniline is sourced from PubChem (CID 10899497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).