3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline

C13H21NO — CID 90001609

IUPAC3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
SMILESCCc1cccc(NC(C)COC)c1C
InChIInChI=1S/C13H21NO/c1-5-12-7-6-8-13(11(12)3)14-10(2)9-15-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyXVDSNQAJZKLOIT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.00
Rot. Bonds5

About 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline

3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline (PubChem CID 90001609) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline.

Molecular Properties

Compound Name3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
PubChem CID90001609
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
SMILESCCc1cccc(NC(C)COC)c1C
InChIInChI=1S/C13H21NO/c1-5-12-7-6-8-13(11(12)3)14-10(2)9-15-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyXVDSNQAJZKLOIT-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
CID 55086327
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
CID 62536428
N-(1-methoxypropan-2-yl)-2,6-dimethylaniline
CID 10899497
3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535633
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 141057121
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
N-(1-methoxypropan-2-yl)quinolin-5-amine
CID 62536398

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline?
The IUPAC name of 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline (CID 90001609) is 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline.
What is the SMILES notation for 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline?
The canonical SMILES for 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline is CCc1cccc(NC(C)COC)c1C.
What is the InChIKey of 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline?
The InChIKey is XVDSNQAJZKLOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-12-7-6-8-13(11(12)3)14-10(2)9-15-4/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline?
3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline has a molecular weight of 207.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline is sourced from PubChem (CID 90001609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).