2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline

C16H20N2O — CID 175055680

IUPAC2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
SMILESCCc1cccc(OC)c1N[C@@H](C)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-4-13-8-7-10-15(19-3)16(13)18-12(2)14-9-5-6-11-17-14/h5-12,18H,4H2,1-3H3/t12-/m0/s1
InChIKeyJCRVILNPFLSYBF-LBPRGKRZSA-N
MW256.35 g/mol
LogP3.83
Rot. Bonds5

About 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline

2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline (PubChem CID 175055680) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
PubChem CID175055680
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
SMILESCCc1cccc(OC)c1N[C@@H](C)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-4-13-8-7-10-15(19-3)16(13)18-12(2)14-9-5-6-11-17-14/h5-12,18H,4H2,1-3H3/t12-/m0/s1
InChIKeyJCRVILNPFLSYBF-LBPRGKRZSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
(2-ethyl-6-methoxyphenyl)hydrazine
CID 130939442
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
CID 43751475
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline?
The IUPAC name of 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline (CID 175055680) is 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline.
What is the SMILES notation for 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline?
The canonical SMILES for 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline is CCc1cccc(OC)c1N[C@@H](C)c1ccccn1.
What is the InChIKey of 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline?
The InChIKey is JCRVILNPFLSYBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-13-8-7-10-15(19-3)16(13)18-12(2)14-9-5-6-11-17-14/h5-12,18H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline?
2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline is sourced from PubChem (CID 175055680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).