ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine

C19H25NO2 — CID 143367533

IUPACethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCCO.Cc1ccccc1OC1c2ccccc2CC1CN
InChIInChI=1S/C17H19NO.C2H6O/c1-12-6-2-5-9-16(12)19-17-14(11-18)10-13-7-3-4-8-15(13)17;1-2-3/h2-9,14,17H,10-11,18H2,1H3;3H,2H2,1H3
InChIKeyFGOZGIJBFCMDIL-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.24
Rot. Bonds3

About ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine

ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine (PubChem CID 143367533) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine.

Molecular Properties

Compound Nameethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
PubChem CID143367533
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nameethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCCO.Cc1ccccc1OC1c2ccccc2CC1CN
InChIInChI=1S/C17H19NO.C2H6O/c1-12-6-2-5-9-16(12)19-17-14(11-18)10-13-7-3-4-8-15(13)17;1-2-3/h2-9,14,17H,10-11,18H2,1H3;3H,2H2,1H3
InChIKeyFGOZGIJBFCMDIL-UHFFFAOYSA-N
XLogP3.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
The IUPAC name of ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine (CID 143367533) is ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine.
What is the SMILES notation for ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
The canonical SMILES for ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine is CCO.Cc1ccccc1OC1c2ccccc2CC1CN.
What is the InChIKey of ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
The InChIKey is FGOZGIJBFCMDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C2H6O/c1-12-6-2-5-9-16(12)19-17-14(11-18)10-13-7-3-4-8-15(13)17;1-2-3/h2-9,14,17H,10-11,18H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine?
ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine has a molecular weight of 299.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine is sourced from PubChem (CID 143367533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).