2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine

C16H20N2O2 — CID 61016634

IUPAC2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
SMILESCCCOc1cccc(CNc2cccnc2OC)c1
InChIInChI=1S/C16H20N2O2/c1-3-10-20-14-7-4-6-13(11-14)12-18-15-8-5-9-17-16(15)19-2/h4-9,11,18H,3,10,12H2,1-2H3
InChIKeyQOJHOCNYTNNLCA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.49
Rot. Bonds7

About 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine

2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine (PubChem CID 61016634) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
PubChem CID61016634
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
SMILESCCCOc1cccc(CNc2cccnc2OC)c1
InChIInChI=1S/C16H20N2O2/c1-3-10-20-14-7-4-6-13(11-14)12-18-15-8-5-9-17-16(15)19-2/h4-9,11,18H,3,10,12H2,1-2H3
InChIKeyQOJHOCNYTNNLCA-UHFFFAOYSA-N
XLogP3.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine
CID 107037935
3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
CID 63454865
[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
CID 61017001
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline
CID 65467770
N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 60957658
2-(2-methylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54800051
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine (CID 61016634) is 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine is CCCOc1cccc(CNc2cccnc2OC)c1.
What is the InChIKey of 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is QOJHOCNYTNNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-20-14-7-4-6-13(11-14)12-18-15-8-5-9-17-16(15)19-2/h4-9,11,18H,3,10,12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine?
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 61016634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).