N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine

C16H20N2O3 — CID 43706520

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H20N2O3/c1-4-21-16-15(6-5-7-17-16)18-11-12-8-13(19-2)10-14(9-12)20-3/h5-10,18H,4,11H2,1-3H3
InChIKeyBCEISGDQOHIHRW-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.11
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine

N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine (PubChem CID 43706520) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
PubChem CID43706520
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H20N2O3/c1-4-21-16-15(6-5-7-17-16)18-11-12-8-13(19-2)10-14(9-12)20-3/h5-10,18H,4,11H2,1-3H3
InChIKeyBCEISGDQOHIHRW-UHFFFAOYSA-N
XLogP3.11
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66397464
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
CID 43721997
2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 43706113
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine (CID 43706520) is N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine is CCOc1ncccc1NCc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine?
The InChIKey is BCEISGDQOHIHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-21-16-15(6-5-7-17-16)18-11-12-8-13(19-2)10-14(9-12)20-3/h5-10,18H,4,11H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine?
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine has a molecular weight of 288.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine is sourced from PubChem (CID 43706520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).