(1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine

C17H19NO — CID 44560626

IUPAC(1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc21
InChIInChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17+/m1/s1
InChIKeyWPKZZLMFEYGCJR-WBVHZDCISA-N
MW253.34 g/mol
LogP3.78
Rot. Bonds3

About (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine

(1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 44560626) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID44560626
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc21
InChIInChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17+/m1/s1
InChIKeyWPKZZLMFEYGCJR-WBVHZDCISA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine (CID 44560626) is (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine is CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc21.
What is the InChIKey of (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WPKZZLMFEYGCJR-WBVHZDCISA-N. The full InChI is InChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-N-methyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 44560626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).