1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine

C17H18FNO — CID 105090028

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1OCCc2ccccc21
InChIInChI=1S/C17H18FNO/c18-15-8-4-2-6-13(15)11-16(19)17-14-7-3-1-5-12(14)9-10-20-17/h1-8,16-17H,9-11,19H2
InChIKeyYCXXJWRWTNHSRG-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.01
Rot. Bonds3

About 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine

1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 105090028) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID105090028
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1OCCc2ccccc21
InChIInChI=1S/C17H18FNO/c18-15-8-4-2-6-13(15)11-16(19)17-14-7-3-1-5-12(14)9-10-20-17/h1-8,16-17H,9-11,19H2
InChIKeyYCXXJWRWTNHSRG-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284785
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105085210
2-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105111247
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)-4,4-dimethylpentan-1-amine
CID 105139926
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethylsulfonylbutan-1-amine
CID 105152487
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 107515266
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 103543902

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine (CID 105090028) is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine is NC(Cc1ccccc1F)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is YCXXJWRWTNHSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-8-4-2-6-13(15)11-16(19)17-14-7-3-1-5-12(14)9-10-20-17/h1-8,16-17H,9-11,19H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine?
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 105090028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).