N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

C14H15FN2 — CID 80707816

IUPACN-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2ccccc2F)nc1
InChIInChI=1S/C14H15FN2/c1-11-6-7-13(17-8-11)10-16-9-12-4-2-3-5-14(12)15/h2-8,16H,9-10H2,1H3
InChIKeyGJJCPGYTXQPTFD-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.82
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (PubChem CID 80707816) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
PubChem CID80707816
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2ccccc2F)nc1
InChIInChI=1S/C14H15FN2/c1-11-6-7-13(17-8-11)10-16-9-12-4-2-3-5-14(12)15/h2-8,16H,9-10H2,1H3
InChIKeyGJJCPGYTXQPTFD-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (CID 80707816) is N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is Cc1ccc(CNCc2ccccc2F)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The InChIKey is GJJCPGYTXQPTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-11-6-7-13(17-8-11)10-16-9-12-4-2-3-5-14(12)15/h2-8,16H,9-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine has a molecular weight of 230.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 80707816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).