1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole

C14H21N — CID 82924962

IUPAC1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
SMILESCCC(CC)CC1NCc2ccccc21
InChIInChI=1S/C14H21N/c1-3-11(4-2)9-14-13-8-6-5-7-12(13)10-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyNRPDYTIDKJVBER-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole

1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole (PubChem CID 82924962) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
PubChem CID82924962
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
SMILESCCC(CC)CC1NCc2ccccc21
InChIInChI=1S/C14H21N/c1-3-11(4-2)9-14-13-8-6-5-7-12(13)10-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyNRPDYTIDKJVBER-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(2,3-dihydro-1H-isoindol-1-yl)propan-2-ol
CID 130515953
(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol
CID 16681083
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
CID 65042192
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole
CID 65042106
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731753
1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole
CID 65047103
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole (CID 82924962) is 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole is CCC(CC)CC1NCc2ccccc21.
What is the InChIKey of 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole?
The InChIKey is NRPDYTIDKJVBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-11(4-2)9-14-13-8-6-5-7-12(13)10-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole?
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole has a molecular weight of 203.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 82924962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).