(2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol

C19H21NO — CID 10516818

IUPAC(2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESC=CCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
InChIKeyXWQIFHFKVSCKAY-RTBURBONSA-N
MW279.38 g/mol
LogP3.57
Rot. Bonds4

About (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol

(2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 10516818) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol
PubChem CID10516818
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESC=CCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
InChIKeyXWQIFHFKVSCKAY-RTBURBONSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
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 (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol (CID 10516818) is (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol is C=CCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is XWQIFHFKVSCKAY-RTBURBONSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
(2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 279.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 10516818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).