N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine

C23H23NO2 — CID 19075628

IUPACN-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine
SMILESCNC1Cc2ccccc2C1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-24-22-15-18-9-5-6-10-21(18)23(22)26-20-13-11-19(12-14-20)25-16-17-7-3-2-4-8-17/h2-14,22-24H,15-16H2,1H3
InChIKeyPFLJZDJWGFKGGW-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.53
Rot. Bonds6

About N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine

N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine (PubChem CID 19075628) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine
PubChem CID19075628
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine
SMILESCNC1Cc2ccccc2C1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-24-22-15-18-9-5-6-10-21(18)23(22)26-20-13-11-19(12-14-20)25-16-17-7-3-2-4-8-17/h2-14,22-24H,15-16H2,1H3
InChIKeyPFLJZDJWGFKGGW-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine (CID 19075628) is N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine is CNC1Cc2ccccc2C1Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PFLJZDJWGFKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-24-22-15-18-9-5-6-10-21(18)23(22)26-20-13-11-19(12-14-20)25-16-17-7-3-2-4-8-17/h2-14,22-24H,15-16H2,1H3.
What are the key properties of N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine?
N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 345.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 19075628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).