(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine

C16H17FN2 — CID 116506384

IUPAC(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1ncccc1F
InChIInChI=1S/C16H17FN2/c17-14-5-2-10-19-16(14)15(18)13-8-6-12(7-9-13)11-3-1-4-11/h2,5-11,15H,1,3-4,18H2
InChIKeyHDHZUUMXVZIQGG-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.54
Rot. Bonds3

About (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine

(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine (PubChem CID 116506384) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
PubChem CID116506384
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1ncccc1F
InChIInChI=1S/C16H17FN2/c17-14-5-2-10-19-16(14)15(18)13-8-6-12(7-9-13)11-3-1-4-11/h2,5-11,15H,1,3-4,18H2
InChIKeyHDHZUUMXVZIQGG-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114604283
[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257937
(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 116506425
N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 116506386
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
CID 78018909
(4-cyclohexylphenyl)-(2-fluorophenyl)methanamine
CID 43093339
(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 105045054
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(3-cyclopropyloxyphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114522053
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine (CID 116506384) is (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine is NC(c1ccc(C2CCC2)cc1)c1ncccc1F.
What is the InChIKey of (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine?
The InChIKey is HDHZUUMXVZIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-14-5-2-10-19-16(14)15(18)13-8-6-12(7-9-13)11-3-1-4-11/h2,5-11,15H,1,3-4,18H2.
What are the key properties of (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine?
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine has a molecular weight of 256.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 116506384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).