2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine

C16H28N2O2 — CID 116721748

IUPAC2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(OC)c1)C(OCC)C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-8-18-15(16(12(3)4)20-7-2)13-9-14(19-5)11-17-10-13/h9-12,15-16,18H,6-8H2,1-5H3
InChIKeyZZRLWYVXGJGBTI-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.19
Rot. Bonds9

About 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine

2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 116721748) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
PubChem CID116721748
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(OC)c1)C(OCC)C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-8-18-15(16(12(3)4)20-7-2)13-9-14(19-5)11-17-10-13/h9-12,15-16,18H,6-8H2,1-5H3
InChIKeyZZRLWYVXGJGBTI-UHFFFAOYSA-N
XLogP3.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116721522
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 105026112
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-propylpropan-1-amine
CID 64534211
2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720561
2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 116721761
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine (CID 116721748) is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine is CCCNC(c1cncc(OC)c1)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is ZZRLWYVXGJGBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-8-18-15(16(12(3)4)20-7-2)13-9-14(19-5)11-17-10-13/h9-12,15-16,18H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine?
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116721748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).