N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine

C18H21NO — CID 44593451

IUPACN-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C
InChIInChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-15(12-19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyOQRZMLVFIJAOKO-MAUKXSAKSA-N
MW267.37 g/mol
LogP3.51
Rot. Bonds4

About N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine

N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine (PubChem CID 44593451) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
PubChem CID44593451
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C
InChIInChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-15(12-19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyOQRZMLVFIJAOKO-MAUKXSAKSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine (CID 44593451) is N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine is CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C.
What is the InChIKey of N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
The InChIKey is OQRZMLVFIJAOKO-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-15(12-19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine is sourced from PubChem (CID 44593451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).