(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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Related Compounds

5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905156
2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide
CID 146094637
(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 100698925
4-ethoxy-2-(4-fluorophenyl)oxane
CID 163836652
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N,3,5-trimethylbenzamide
CID 125137566
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-4-pyrrol-1-ylbutanamide
CID 129471608
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
N-ethyl-2-methoxy-N-methylpyridin-3-amine
CID 155687981
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile
CID 95455764
1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 96999764
3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
CID 168947989

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).