(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine

C19H26FN3O — CID 124620783

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](C)Cc1ccccc1F
InChIInChI=1S/C19H26FN3O/c1-3-23-11-10-21-19(23)18-17(9-6-12-24-18)22-14(2)13-15-7-4-5-8-16(15)20/h4-5,7-8,10-11,14,17-18,22H,3,6,9,12-13H2,1-2H3/t14-,17+,18+/m1/s1
InChIKeyKDXBOKLCHSNAEQ-JLSDUUJJSA-N
MW331.44 g/mol
LogP3.48
Rot. Bonds6

About (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine (PubChem CID 124620783) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine
PubChem CID124620783
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](C)Cc1ccccc1F
InChIInChI=1S/C19H26FN3O/c1-3-23-11-10-21-19(23)18-17(9-6-12-24-18)22-14(2)13-15-7-4-5-8-16(15)20/h4-5,7-8,10-11,14,17-18,22H,3,6,9,12-13H2,1-2H3/t14-,17+,18+/m1/s1
InChIKeyKDXBOKLCHSNAEQ-JLSDUUJJSA-N
XLogP3.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]oxan-3-amine
CID 129400645
(2S,3S)-N-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-2-(1-ethylimidazol-2-yl)oxan-3-amine
CID 129400634
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 129400622
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]oxan-3-amine
CID 129400637
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[3-(4-fluorophenyl)cyclobutyl]oxan-3-amine
CID 129001362
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
CID 128998209
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 136581065
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
CID 128971761
2-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128993386
(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine
CID 129475592
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
CID 128977716
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine (CID 124620783) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](C)Cc1ccccc1F.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine?
The InChIKey is KDXBOKLCHSNAEQ-JLSDUUJJSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-3-23-11-10-21-19(23)18-17(9-6-12-24-18)22-14(2)13-15-7-4-5-8-16(15)20/h4-5,7-8,10-11,14,17-18,22H,3,6,9,12-13H2,1-2H3/t14-,17+,18+/m1/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine has a molecular weight of 331.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine is sourced from PubChem (CID 124620783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).