(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

C20H28N2O2 — CID 97308672

IUPAC(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCCOc1ncccc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-6-23-19-17(8-7-13-21-19)14-22-15(2)16-9-11-18(12-10-16)24-20(3,4)5/h7-13,15,22H,6,14H2,1-5H3/t15-/m0/s1
InChIKeyBDVXBSJEEMUPHF-HNNXBMFYSA-N
MW328.46 g/mol
LogP4.51
Rot. Bonds7

About (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (PubChem CID 97308672) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
PubChem CID97308672
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCCOc1ncccc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-6-23-19-17(8-7-13-21-19)14-22-15(2)16-9-11-18(12-10-16)24-20(3,4)5/h7-13,15,22H,6,14H2,1-5H3/t15-/m0/s1
InChIKeyBDVXBSJEEMUPHF-HNNXBMFYSA-N
XLogP4.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine with MolForge

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97229902
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
1-(4-chlorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61372938
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 97230181
(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
CID 97308675
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The IUPAC name of (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (CID 97308672) is (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The canonical SMILES for (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is CCOc1ncccc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The InChIKey is BDVXBSJEEMUPHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-6-23-19-17(8-7-13-21-19)14-22-15(2)16-9-11-18(12-10-16)24-20(3,4)5/h7-13,15,22H,6,14H2,1-5H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine has a molecular weight of 328.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 97308672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).