(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine

C19H23FN2O2 — CID 129358384

IUPAC(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine
SMILESCOc1ncccc1CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN2O2/c1-22(13-15-4-3-10-21-19(15)23-2)17-9-11-24-18(12-17)14-5-7-16(20)8-6-14/h3-8,10,17-18H,9,11-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyIHQXFPNZBPJYJQ-ZWKOTPCHSA-N
MW330.40 g/mol
LogP3.58
Rot. Bonds5

About (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine

(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine (PubChem CID 129358384) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine
PubChem CID129358384
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine
SMILESCOc1ncccc1CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN2O2/c1-22(13-15-4-3-10-21-19(15)23-2)17-9-11-24-18(12-17)14-5-7-16(20)8-6-14/h3-8,10,17-18H,9,11-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyIHQXFPNZBPJYJQ-ZWKOTPCHSA-N
XLogP3.58
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine?
The IUPAC name of (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine (CID 129358384) is (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine is COc1ncccc1CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine?
The InChIKey is IHQXFPNZBPJYJQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-22(13-15-4-3-10-21-19(15)23-2)17-9-11-24-18(12-17)14-5-7-16(20)8-6-14/h3-8,10,17-18H,9,11-13H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine?
(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine has a molecular weight of 330.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 129358384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).