1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine

C17H22N2O2 — CID 63264668

IUPAC1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-13(18-2)15-6-7-16(17(11-15)20-3)21-10-8-14-5-4-9-19-12-14/h4-7,9,11-13,18H,8,10H2,1-3H3
InChIKeyHFZFLVYVGFWMHV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.99
Rot. Bonds7

About 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine

1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine (PubChem CID 63264668) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine
PubChem CID63264668
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-13(18-2)15-6-7-16(17(11-15)20-3)21-10-8-14-5-4-9-19-12-14/h4-7,9,11-13,18H,8,10H2,1-3H3
InChIKeyHFZFLVYVGFWMHV-UHFFFAOYSA-N
XLogP2.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 43279469
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
CID 78936400
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
CID 107669015
N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine
CID 63264808

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine (CID 63264668) is 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCc2cccnc2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine?
The InChIKey is HFZFLVYVGFWMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(18-2)15-6-7-16(17(11-15)20-3)21-10-8-14-5-4-9-19-12-14/h4-7,9,11-13,18H,8,10H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine?
1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63264668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).