N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline

C14H15FN2O — CID 166356932

IUPACN-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline
SMILESCCOc1cncc(CNc2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O/c1-2-18-14-7-11(8-16-10-14)9-17-13-5-3-12(15)4-6-13/h3-8,10,17H,2,9H2,1H3
InChIKeyIKDVSGYRYAPEBV-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.23
Rot. Bonds5

About N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline

N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline (PubChem CID 166356932) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline
PubChem CID166356932
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline
SMILESCCOc1cncc(CNc2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O/c1-2-18-14-7-11(8-16-10-14)9-17-13-5-3-12(15)4-6-13/h3-8,10,17H,2,9H2,1H3
InChIKeyIKDVSGYRYAPEBV-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
N-[(5-ethoxy-3-pyridinyl)methyl]-2H-benzotriazol-4-amine
CID 166434660
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
4-ethoxy-N-[[4-[(4-ethoxyanilino)methyl]-3-fluorophenyl]methyl]aniline
CID 132991407
2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
CID 83131100
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
4-fluoro-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796497
N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
CID 69114857
4-ethoxy-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]methyl]aniline
CID 126128745
4-ethoxy-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761547
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline (CID 166356932) is N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline is CCOc1cncc(CNc2ccc(F)cc2)c1.
What is the InChIKey of N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline?
The InChIKey is IKDVSGYRYAPEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-18-14-7-11(8-16-10-14)9-17-13-5-3-12(15)4-6-13/h3-8,10,17H,2,9H2,1H3.
What are the key properties of N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline?
N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline has a molecular weight of 246.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 166356932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).