(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine

C17H19FN2O — CID 66746697

IUPAC(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
SMILESCN[C@@H](C)CC=Cc1cncc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-13(19-2)4-3-5-14-10-17(12-20-11-14)21-16-8-6-15(18)7-9-16/h3,5-13,19H,4H2,1-2H3/t13-/m0/s1
InChIKeyWWZWUMSCNSUYTF-ZDUSSCGKSA-N
MW286.35 g/mol
LogP4.02
Rot. Bonds6

About (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine

(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine (PubChem CID 66746697) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
PubChem CID66746697
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
SMILESCN[C@@H](C)CC=Cc1cncc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-13(19-2)4-3-5-14-10-17(12-20-11-14)21-16-8-6-15(18)7-9-16/h3,5-13,19H,4H2,1-2H3/t13-/m0/s1
InChIKeyWWZWUMSCNSUYTF-ZDUSSCGKSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
The IUPAC name of (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine (CID 66746697) is (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine.
What is the SMILES notation for (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
The canonical SMILES for (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine is CN[C@@H](C)CC=Cc1cncc(Oc2ccc(F)cc2)c1.
What is the InChIKey of (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
The InChIKey is WWZWUMSCNSUYTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13(19-2)4-3-5-14-10-17(12-20-11-14)21-16-8-6-15(18)7-9-16/h3,5-13,19H,4H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine has a molecular weight of 286.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine is sourced from PubChem (CID 66746697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).