6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine

C18H21NO2 — CID 79370320

IUPAC6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1Oc1cccc(C)c1
InChIInChI=1S/C18H21NO2/c1-12-5-4-6-15(9-12)21-17-10-13-7-8-14(20-3)11-16(13)18(17)19-2/h4-9,11,17-19H,10H2,1-3H3
InChIKeyOIVTWKKPXINKJH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.27
Rot. Bonds4

About 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370320) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID79370320
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1Oc1cccc(C)c1
InChIInChI=1S/C18H21NO2/c1-12-5-4-6-15(9-12)21-17-10-13-7-8-14(20-3)11-16(13)18(17)19-2/h4-9,11,17-19H,10H2,1-3H3
InChIKeyOIVTWKKPXINKJH-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372409
2-(2,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372407
2-(2-fluoro-3-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 107660304
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
6-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375507
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375752
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 118052302
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 104958462
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 102983334

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine (CID 79370320) is 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1Oc1cccc(C)c1.
What is the InChIKey of 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OIVTWKKPXINKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-5-4-6-15(9-12)21-17-10-13-7-8-14(20-3)11-16(13)18(17)19-2/h4-9,11,17-19H,10H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).