4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine

C14H24FN3O2 — CID 105390289

IUPAC4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
SMILESCCOCCN(CCOCC)c1nccc(CN)c1F
InChIInChI=1S/C14H24FN3O2/c1-3-19-9-7-18(8-10-20-4-2)14-13(15)12(11-16)5-6-17-14/h5-6H,3-4,7-11,16H2,1-2H3
InChIKeyYROHEODWHDFPBX-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.56
Rot. Bonds10

About 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine

4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine (PubChem CID 105390289) has the molecular formula C14H24FN3O2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
PubChem CID105390289
Molecular FormulaC14H24FN3O2
Molecular Weight285.36 g/mol
Exact Mass285.19
IUPAC Name4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
SMILESCCOCCN(CCOCC)c1nccc(CN)c1F
InChIInChI=1S/C14H24FN3O2/c1-3-19-9-7-18(8-10-20-4-2)14-13(15)12(11-16)5-6-17-14/h5-6H,3-4,7-11,16H2,1-2H3
InChIKeyYROHEODWHDFPBX-UHFFFAOYSA-N
XLogP1.56
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine
CID 105390237
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537
2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 63697339
[2-[bis(2-ethoxyethyl)amino]-3-pyridinyl]methanol
CID 82960882
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-4-amine
CID 82952880
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390426
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
4-(aminomethyl)-3-fluoro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 105389449

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine (CID 105390289) is 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine is CCOCCN(CCOCC)c1nccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine?
The InChIKey is YROHEODWHDFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2/c1-3-19-9-7-18(8-10-20-4-2)14-13(15)12(11-16)5-6-17-14/h5-6H,3-4,7-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine?
4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine has a molecular weight of 285.36 g/mol, XLogP of 1.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 105390289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).