(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine

C20H22FNO — CID 11439436

IUPAC(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine
SMILESC=CCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1
InChIInChI=1S/C20H22FNO/c1-4-10-22(2)18-11-15-12-19(23-3)17(21)13-16(15)20(18)14-8-6-5-7-9-14/h4-9,12-13,18,20H,1,10-11H2,2-3H3/t18-,20-/m1/s1
InChIKeyYXGJJGRAMWLPGC-UYAOXDASSA-N
MW311.40 g/mol
LogP4.01
Rot. Bonds5

About (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine

(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 11439436) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine
PubChem CID11439436
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine
SMILESC=CCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1
InChIInChI=1S/C20H22FNO/c1-4-10-22(2)18-11-15-12-19(23-3)17(21)13-16(15)20(18)14-8-6-5-7-9-14/h4-9,12-13,18,20H,1,10-11H2,2-3H3/t18-,20-/m1/s1
InChIKeyYXGJJGRAMWLPGC-UYAOXDASSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine (CID 11439436) is (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine is C=CCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1.
What is the InChIKey of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is YXGJJGRAMWLPGC-UYAOXDASSA-N. The full InChI is InChI=1S/C20H22FNO/c1-4-10-22(2)18-11-15-12-19(23-3)17(21)13-16(15)20(18)14-8-6-5-7-9-14/h4-9,12-13,18,20H,1,10-11H2,2-3H3/t18-,20-/m1/s1.
What are the key properties of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine?
(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 311.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 11439436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).