1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine

C12H20N2O — CID 104866879

IUPAC1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
SMILESCCOCC(C)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H20N2O/c1-4-15-9-10(2)14-11(3)12-5-7-13-8-6-12/h5-8,10-11,14H,4,9H2,1-3H3/t10?,11-/m1/s1
InChIKeyWIMVCRJRCHVJAW-RRKGBCIJSA-N
MW208.31 g/mol
LogP2.16
Rot. Bonds6

About 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine

1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine (PubChem CID 104866879) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
PubChem CID104866879
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
SMILESCCOCC(C)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H20N2O/c1-4-15-9-10(2)14-11(3)12-5-7-13-8-6-12/h5-8,10-11,14H,4,9H2,1-3H3/t10?,11-/m1/s1
InChIKeyWIMVCRJRCHVJAW-RRKGBCIJSA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850
1-methoxy-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81406317
1-methoxy-3-methyl-N-(1-pyridin-4-ylethyl)butan-2-amine
CID 65047820
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine (CID 104866879) is 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine is CCOCC(C)N[C@H](C)c1ccncc1.
What is the InChIKey of 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
The InChIKey is WIMVCRJRCHVJAW-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-15-9-10(2)14-11(3)12-5-7-13-8-6-12/h5-8,10-11,14H,4,9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine is sourced from PubChem (CID 104866879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).