N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine

C18H21FN2 — CID 116506386

IUPACN-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1ncccc1F
InChIInChI=1S/C18H21FN2/c1-2-20-17(18-16(19)7-4-12-21-18)15-10-8-14(9-11-15)13-5-3-6-13/h4,7-13,17,20H,2-3,5-6H2,1H3
InChIKeyYYERJUCEBRGYNJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.19
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine

N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine (PubChem CID 116506386) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
PubChem CID116506386
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1ncccc1F
InChIInChI=1S/C18H21FN2/c1-2-20-17(18-16(19)7-4-12-21-18)15-10-8-14(9-11-15)13-5-3-6-13/h4,7-13,17,20H,2-3,5-6H2,1H3
InChIKeyYYERJUCEBRGYNJ-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257937
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
[(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263897
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
N-[(4-cyclobutylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 116506103
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833538
(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 116506425
N-[(3-fluoro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544944
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine (CID 116506386) is N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)c1ncccc1F.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine?
The InChIKey is YYERJUCEBRGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-20-17(18-16(19)7-4-12-21-18)15-10-8-14(9-11-15)13-5-3-6-13/h4,7-13,17,20H,2-3,5-6H2,1H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine?
N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 116506386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).