2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C17H18FNO2 — CID 102981057

IUPAC2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(Oc1cc(F)ccc1C)C2
InChIInChI=1S/C17H18FNO2/c1-10-3-5-12(18)8-15(10)21-16-7-11-4-6-13(20-2)9-14(11)17(16)19/h3-6,8-9,16-17H,7,19H2,1-2H3
InChIKeyBXSSEJXKVNXRBT-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.15
Rot. Bonds3

About 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine

2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 102981057) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID102981057
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(Oc1cc(F)ccc1C)C2
InChIInChI=1S/C17H18FNO2/c1-10-3-5-12(18)8-15(10)21-16-7-11-4-6-13(20-2)9-14(11)17(16)19/h3-6,8-9,16-17H,7,19H2,1-2H3
InChIKeyBXSSEJXKVNXRBT-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 102983334
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
2-(2-fluoro-3-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 107660304
2-(2,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372407
2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82003939
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328
6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
CID 79374892

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 102981057) is 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N)C(Oc1cc(F)ccc1C)C2.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BXSSEJXKVNXRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-10-3-5-12(18)8-15(10)21-16-7-11-4-6-13(20-2)9-14(11)17(16)19/h3-6,8-9,16-17H,7,19H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 287.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 102981057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).