(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine

C13H22N2O — CID 139545772

IUPAC(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
SMILESCCNC[C@H](C)Oc1cc(C(C)C)ccn1
InChIInChI=1S/C13H22N2O/c1-5-14-9-11(4)16-13-8-12(10(2)3)6-7-15-13/h6-8,10-11,14H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyGZXCPIVIOOABSX-NSHDSACASA-N
MW222.33 g/mol
LogP2.58
Rot. Bonds6

About (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine

(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine (PubChem CID 139545772) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
PubChem CID139545772
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
SMILESCCNC[C@H](C)Oc1cc(C(C)C)ccn1
InChIInChI=1S/C13H22N2O/c1-5-14-9-11(4)16-13-8-12(10(2)3)6-7-15-13/h6-8,10-11,14H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyGZXCPIVIOOABSX-NSHDSACASA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 126654827
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018
N-ethyl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 155215060
N-[1-[2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]ethyl]propan-1-amine
CID 103488781
ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 66330279
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine
CID 177189575
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine?
The IUPAC name of (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine (CID 139545772) is (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine.
What is the SMILES notation for (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine?
The canonical SMILES for (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine is CCNC[C@H](C)Oc1cc(C(C)C)ccn1.
What is the InChIKey of (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine?
The InChIKey is GZXCPIVIOOABSX-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-14-9-11(4)16-13-8-12(10(2)3)6-7-15-13/h6-8,10-11,14H,5,9H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine?
(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine is sourced from PubChem (CID 139545772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).