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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Related Compounds

[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
N,N-dimethyl-1-[4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 75053205
N-methyl-1-[(3S,4R)-4-(2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]methanamine
CID 44587484
3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene
CID 143951013
(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24969453
1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol
CID 162738830
N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-thiochromen-3-yl]methanamine
CID 44587385
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate
CID 57173329
(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol
CID 71100005
ethyl 2-[2-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-1-yl]acetate
CID 139496841

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).