3-methoxy-N-(1-pyridin-2-ylethyl)aniline

C14H16N2O — CID 43196359

IUPAC3-methoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCOc1cccc(NC(C)c2ccccn2)c1
InChIInChI=1S/C14H16N2O/c1-11(14-8-3-4-9-15-14)16-12-6-5-7-13(10-12)17-2/h3-11,16H,1-2H3
InChIKeyCDVXUWFWHTVIBC-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.26
Rot. Bonds4

About 3-methoxy-N-(1-pyridin-2-ylethyl)aniline

3-methoxy-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43196359) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methoxy-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43196359
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-methoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCOc1cccc(NC(C)c2ccccn2)c1
InChIInChI=1S/C14H16N2O/c1-11(14-8-3-4-9-15-14)16-12-6-5-7-13(10-12)17-2/h3-11,16H,1-2H3
InChIKeyCDVXUWFWHTVIBC-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
CID 175055680
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 3-methoxy-N-(1-pyridin-2-ylethyl)aniline (CID 43196359) is 3-methoxy-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 3-methoxy-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 3-methoxy-N-(1-pyridin-2-ylethyl)aniline is COc1cccc(NC(C)c2ccccn2)c1.
What is the InChIKey of 3-methoxy-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is CDVXUWFWHTVIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(14-8-3-4-9-15-14)16-12-6-5-7-13(10-12)17-2/h3-11,16H,1-2H3.
What are the key properties of 3-methoxy-N-(1-pyridin-2-ylethyl)aniline?
3-methoxy-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 228.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43196359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).