3-ethoxy-N-(pyridin-4-ylmethyl)aniline

C14H16N2O — CID 54864999

IUPAC3-ethoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCCOc1cccc(NCc2ccncc2)c1
InChIInChI=1S/C14H16N2O/c1-2-17-14-5-3-4-13(10-14)16-11-12-6-8-15-9-7-12/h3-10,16H,2,11H2,1H3
InChIKeyMDGQVOPUTWBHFN-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.09
Rot. Bonds5

About 3-ethoxy-N-(pyridin-4-ylmethyl)aniline

3-ethoxy-N-(pyridin-4-ylmethyl)aniline (PubChem CID 54864999) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-ethoxy-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-ethoxy-N-(pyridin-4-ylmethyl)aniline
PubChem CID54864999
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-ethoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCCOc1cccc(NCc2ccncc2)c1
InChIInChI=1S/C14H16N2O/c1-2-17-14-5-3-4-13(10-14)16-11-12-6-8-15-9-7-12/h3-10,16H,2,11H2,1H3
InChIKeyMDGQVOPUTWBHFN-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-[[4-[(3-ethoxyanilino)methyl]phenyl]methylamino]benzoic acid
CID 166909603
2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 112977719
3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650113
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-ethoxy-N-propylaniline
CID 54800867
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
CID 54865539

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3-ethoxy-N-(pyridin-4-ylmethyl)aniline (CID 54864999) is 3-ethoxy-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3-ethoxy-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3-ethoxy-N-(pyridin-4-ylmethyl)aniline is CCOc1cccc(NCc2ccncc2)c1.
What is the InChIKey of 3-ethoxy-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is MDGQVOPUTWBHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-17-14-5-3-4-13(10-14)16-11-12-6-8-15-9-7-12/h3-10,16H,2,11H2,1H3.
What are the key properties of 3-ethoxy-N-(pyridin-4-ylmethyl)aniline?
3-ethoxy-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 228.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 54864999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).