2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline

C13H21NO — CID 10130489

IUPAC2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline
SMILESCCc1cccc(C)c1N[C@@H](C)COC
InChIInChI=1S/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyYXWIRQHVEQIJOV-NSHDSACASA-N
MW207.32 g/mol
LogP3.00
Rot. Bonds5

About 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline

2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline (PubChem CID 10130489) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline.

Molecular Properties

Compound Name2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline
PubChem CID10130489
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline
SMILESCCc1cccc(C)c1N[C@@H](C)COC
InChIInChI=1S/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyYXWIRQHVEQIJOV-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline?
The IUPAC name of 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline (CID 10130489) is 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline.
What is the SMILES notation for 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline?
The canonical SMILES for 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline is CCc1cccc(C)c1N[C@@H](C)COC.
What is the InChIKey of 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline?
The InChIKey is YXWIRQHVEQIJOV-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline?
2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-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 2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline is sourced from PubChem (CID 10130489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).