1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine

C19H22FN — CID 115996411

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1ccc2c(c1)CCC2)c1ccccc1F
InChIInChI=1S/C19H22FN/c1-2-19(21,17-8-3-4-9-18(17)20)13-14-10-11-15-6-5-7-16(15)12-14/h3-4,8-12H,2,5-7,13,21H2,1H3
InChIKeyPZEXYSYVNGGNAJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.12
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine (PubChem CID 115996411) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine
PubChem CID115996411
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1ccc2c(c1)CCC2)c1ccccc1F
InChIInChI=1S/C19H22FN/c1-2-19(21,17-8-3-4-9-18(17)20)13-14-10-11-15-6-5-7-16(15)12-14/h3-4,8-12H,2,5-7,13,21H2,1H3
InChIKeyPZEXYSYVNGGNAJ-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19107061
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9-Methylfluoren-9-amine
CID 411463
1-(9H-Fluoren-2-yl)-ethylamine
CID 4963029
1-(9H-Fluoren-2-yl)methanamine
CID 21687108
s-Indacene-4-ethanamine, 1,2,3,5,6,7-hexahydro-alpha,alpha-dimethyl-, hydrochloride
CID 3068092
2-[(2,4-Dimethylphenyl)methyl]indan-1-amine
CID 46230930
MK 251
CID 176160
1-(4-Fluorophenyl)-1-phenylbut-3-en-1-amine
CID 126516914
1-Indan-5-yl-ethylamine
CID 6495992
2,3-dihydro-2-phenyl-1H-inden-2-amine
CID 15055777
2-[4-[1,1,2,2-Tetrafluoro-2-(p-tolyl)ethyl]phenyl]propan-2-amine
CID 20372278

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine (CID 115996411) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine is CCC(N)(Cc1ccc2c(c1)CCC2)c1ccccc1F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine?
The InChIKey is PZEXYSYVNGGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-2-19(21,17-8-3-4-9-18(17)20)13-14-10-11-15-6-5-7-16(15)12-14/h3-4,8-12H,2,5-7,13,21H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 115996411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).