3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

C17H19FN2 — CID 63305958

IUPAC3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1cccnc1CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2/c1-12-3-2-8-19-17(12)11-20-16-9-14(10-16)13-4-6-15(18)7-5-13/h2-8,14,16,20H,9-11H2,1H3
InChIKeyJNCCGRZCAZHECL-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.56
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 63305958) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID63305958
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1cccnc1CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2/c1-12-3-2-8-19-17(12)11-20-16-9-14(10-16)13-4-6-15(18)7-5-13/h2-8,14,16,20H,9-11H2,1H3
InChIKeyJNCCGRZCAZHECL-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305425
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 82733626
3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 78952785
N-[(3-methyl-2-pyridinyl)methyl]adamantan-2-amine
CID 63305916
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 65246623
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903039

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (CID 63305958) is 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is Cc1cccnc1CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is JNCCGRZCAZHECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-3-2-8-19-17(12)11-20-16-9-14(10-16)13-4-6-15(18)7-5-13/h2-8,14,16,20H,9-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 270.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63305958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).