1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C17H22N2O — CID 81400310

IUPAC1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-4-20-17-11-6-5-9-15(17)13(2)19-14(3)16-10-7-8-12-18-16/h5-14,19H,4H2,1-3H3/t13?,14-/m0/s1
InChIKeyGQCNHTLUMKCSSZ-KZUDCZAMSA-N
MW270.38 g/mol
LogP3.89
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 81400310) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID81400310
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-4-20-17-11-6-5-9-15(17)13(2)19-14(3)16-10-7-8-12-18-16/h5-14,19H,4H2,1-3H3/t13?,14-/m0/s1
InChIKeyGQCNHTLUMKCSSZ-KZUDCZAMSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
1-(2-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 55120655
(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 10754955
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
[(2-ethoxyphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195729
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 81400310) is 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is CCOc1ccccc1C(C)N[C@@H](C)c1ccccn1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is GQCNHTLUMKCSSZ-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-20-17-11-6-5-9-15(17)13(2)19-14(3)16-10-7-8-12-18-16/h5-14,19H,4H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 81400310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).