2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine

C21H27NO — CID 146199826

IUPAC2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine
SMILESCNCCC1c2ccc(-c3ccc(OC)cc3)cc2C(C)[C@H]1C
InChIInChI=1S/C21H27NO/c1-14-15(2)21-13-17(16-5-8-18(23-4)9-6-16)7-10-20(21)19(14)11-12-22-3/h5-10,13-15,19,22H,11-12H2,1-4H3/t14-,15?,19?/m1/s1
InChIKeyNMPDWYGLBXNCKL-TZGCNFNXSA-N
MW309.45 g/mol
LogP4.81
Rot. Bonds5

About 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine

2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine (PubChem CID 146199826) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine
PubChem CID146199826
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine
SMILESCNCCC1c2ccc(-c3ccc(OC)cc3)cc2C(C)[C@H]1C
InChIInChI=1S/C21H27NO/c1-14-15(2)21-13-17(16-5-8-18(23-4)9-6-16)7-10-20(21)19(14)11-12-22-3/h5-10,13-15,19,22H,11-12H2,1-4H3/t14-,15?,19?/m1/s1
InChIKeyNMPDWYGLBXNCKL-TZGCNFNXSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine?
The IUPAC name of 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine (CID 146199826) is 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine is CNCCC1c2ccc(-c3ccc(OC)cc3)cc2C(C)[C@H]1C.
What is the InChIKey of 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine?
The InChIKey is NMPDWYGLBXNCKL-TZGCNFNXSA-N. The full InChI is InChI=1S/C21H27NO/c1-14-15(2)21-13-17(16-5-8-18(23-4)9-6-16)7-10-20(21)19(14)11-12-22-3/h5-10,13-15,19,22H,11-12H2,1-4H3/t14-,15?,19?/m1/s1.
What are the key properties of 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine?
2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine has a molecular weight of 309.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-(4-methoxyphenyl)-2,3-dimethyl-2,3-dihydro-1H-inden-1-yl]-N-methylethanamine is sourced from PubChem (CID 146199826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).