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

C16H17NO — CID 44560577

IUPAC(1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21
InChIInChI=1S/C16H17NO/c1-17-15-11-16(14-10-6-5-9-13(14)15)18-12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+/m1/s1
InChIKeyWNSBUBHOLORHPN-CVEARBPZSA-N
MW239.32 g/mol
LogP3.47
Rot. Bonds3

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

(1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 44560577) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID44560577
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21
InChIInChI=1S/C16H17NO/c1-17-15-11-16(14-10-6-5-9-13(14)15)18-12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+/m1/s1
InChIKeyWNSBUBHOLORHPN-CVEARBPZSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.47
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-phenoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine (CID 44560577) is (1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine is CN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21.
What is the InChIKey of (1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WNSBUBHOLORHPN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-15-11-16(14-10-6-5-9-13(14)15)18-12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-N-methyl-3-phenoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 239.32 g/mol, XLogP of 3.47, 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-phenoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 44560577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).