(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine

C20H27N3O2 — CID 129473939

IUPAC(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCOc1ccc2c(c1)C[C@H](N[C@H]1CCO[C@@H](c3cncn3C)C1)CC2
InChIInChI=1S/C20H27N3O2/c1-23-13-21-12-19(23)20-11-17(7-8-25-20)22-16-5-3-14-4-6-18(24-2)10-15(14)9-16/h4,6,10,12-13,16-17,20,22H,3,5,7-9,11H2,1-2H3/t16-,17+,20-/m1/s1
InChIKeyKMLJPCZCIDTDSX-FUHIMQAGSA-N
MW341.45 g/mol
LogP2.80
Rot. Bonds4

About (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine

(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 129473939) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID129473939
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCOc1ccc2c(c1)C[C@H](N[C@H]1CCO[C@@H](c3cncn3C)C1)CC2
InChIInChI=1S/C20H27N3O2/c1-23-13-21-12-19(23)20-11-17(7-8-25-20)22-16-5-3-14-4-6-18(24-2)10-15(14)9-16/h4,6,10,12-13,16-17,20,22H,3,5,7-9,11H2,1-2H3/t16-,17+,20-/m1/s1
InChIKeyKMLJPCZCIDTDSX-FUHIMQAGSA-N
XLogP2.80
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
CID 129341065
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
(2R,4R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129340876
(2R,3S)-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 128998850
(2S,4R)-2-(3-methylimidazol-4-yl)-N-[(1S,2R)-2-phenylcyclohexyl]oxan-4-amine
CID 126454576
(2S,4R)-2-(3-methylimidazol-4-yl)-N-[(1R,2R)-2-phenylcyclohexyl]oxan-4-amine
CID 126454579
(5R,6R)-5-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976836
1-[(1S,3R)-3-methylcyclohexyl]-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]piperidin-4-amine
CID 129335818
(5R,6R)-5-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 129482338
2-methoxy-5-[[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]benzonitrile
CID 129475626
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 167753178
N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115897380

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 129473939) is (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine is COc1ccc2c(c1)C[C@H](N[C@H]1CCO[C@@H](c3cncn3C)C1)CC2.
What is the InChIKey of (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is KMLJPCZCIDTDSX-FUHIMQAGSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23-13-21-12-19(23)20-11-17(7-8-25-20)22-16-5-3-14-4-6-18(24-2)10-15(14)9-16/h4,6,10,12-13,16-17,20,22H,3,5,7-9,11H2,1-2H3/t16-,17+,20-/m1/s1.
What are the key properties of (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine has a molecular weight of 341.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 129473939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).