1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C18H20FNO — CID 65405905

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCc3ccccc32)cc1F
InChIInChI=1S/C18H20FNO/c1-21-18-9-6-12(10-16(18)19)11-17(20)15-8-7-13-4-2-3-5-14(13)15/h2-6,9-10,15,17H,7-8,11,20H2,1H3
InChIKeyPOMZWWRCGBWIFR-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 65405905) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID65405905
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCc3ccccc32)cc1F
InChIInChI=1S/C18H20FNO/c1-21-18-9-6-12(10-16(18)19)11-17(20)15-8-7-13-4-2-3-5-14(13)15/h2-6,9-10,15,17H,7-8,11,20H2,1H3
InChIKeyPOMZWWRCGBWIFR-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105121936
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829604
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65410340
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 65096294
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103040066
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 65405905) is 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(CC(N)C2CCc3ccccc32)cc1F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is POMZWWRCGBWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-18-9-6-12(10-16(18)19)11-17(20)15-8-7-13-4-2-3-5-14(13)15/h2-6,9-10,15,17H,7-8,11,20H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 65405905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).