N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine

C18H21FN2O — CID 86815076

IUPACN-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine
SMILESFc1ccc(C(NCCC2CCCO2)c2ccccc2)nc1
InChIInChI=1S/C18H21FN2O/c19-15-8-9-17(21-13-15)18(14-5-2-1-3-6-14)20-11-10-16-7-4-12-22-16/h1-3,5-6,8-9,13,16,18,20H,4,7,10-12H2
InChIKeyKZGQKDTVRXWEDA-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.47
Rot. Bonds6

About N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine

N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 86815076) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine
PubChem CID86815076
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine
SMILESFc1ccc(C(NCCC2CCCO2)c2ccccc2)nc1
InChIInChI=1S/C18H21FN2O/c19-15-8-9-17(21-13-15)18(14-5-2-1-3-6-14)20-11-10-16-7-4-12-22-16/h1-3,5-6,8-9,13,16,18,20H,4,7,10-12H2
InChIKeyKZGQKDTVRXWEDA-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine (CID 86815076) is N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine is Fc1ccc(C(NCCC2CCCO2)c2ccccc2)nc1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is KZGQKDTVRXWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-15-8-9-17(21-13-15)18(14-5-2-1-3-6-14)20-11-10-16-7-4-12-22-16/h1-3,5-6,8-9,13,16,18,20H,4,7,10-12H2.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine?
N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 300.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)-phenylmethyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 86815076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).