N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine

C16H19FN2O — CID 116519990

IUPACN-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine
SMILESCCCCOc1ccc(CNc2cccc(F)n2)cc1
InChIInChI=1S/C16H19FN2O/c1-2-3-11-20-14-9-7-13(8-10-14)12-18-16-6-4-5-15(17)19-16/h4-10H,2-3,11-12H2,1H3,(H,18,19)
InChIKeyICQAXEIUWIWUGB-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.01
Rot. Bonds7

About N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine

N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine (PubChem CID 116519990) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine
PubChem CID116519990
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine
SMILESCCCCOc1ccc(CNc2cccc(F)n2)cc1
InChIInChI=1S/C16H19FN2O/c1-2-3-11-20-14-9-7-13(8-10-14)12-18-16-6-4-5-15(17)19-16/h4-10H,2-3,11-12H2,1H3,(H,18,19)
InChIKeyICQAXEIUWIWUGB-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-N-[(4-butoxyphenyl)methyl]aniline
CID 107596913
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60579306
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
CID 113228051
2-[3-[[(6-fluoro-2-pyridinyl)amino]methyl]phenoxy]acetonitrile
CID 115625315
2-fluoro-6-(4-propoxyphenoxy)pyridine
CID 61229354
N-[(4-butoxyphenyl)methyl]-4-iodoaniline
CID 28975640
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine
CID 116519992
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine (CID 116519990) is N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine is CCCCOc1ccc(CNc2cccc(F)n2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is ICQAXEIUWIWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-2-3-11-20-14-9-7-13(8-10-14)12-18-16-6-4-5-15(17)19-16/h4-10H,2-3,11-12H2,1H3,(H,18,19).
What are the key properties of N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine?
N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine has a molecular weight of 274.34 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 116519990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).