2-(2,2-dimethylbutyl)-1,3-dihydroisoindole

C14H21N — CID 167187659

IUPAC2-(2,2-dimethylbutyl)-1,3-dihydroisoindole
SMILESCCC(C)(C)CN1Cc2ccccc2C1
InChIInChI=1S/C14H21N/c1-4-14(2,3)11-15-9-12-7-5-6-8-13(12)10-15/h5-8H,4,9-11H2,1-3H3
InChIKeyIYTBPXHIYJUJGL-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.44
Rot. Bonds3

About 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole

2-(2,2-dimethylbutyl)-1,3-dihydroisoindole (PubChem CID 167187659) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-1,3-dihydroisoindole
PubChem CID167187659
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-(2,2-dimethylbutyl)-1,3-dihydroisoindole
SMILESCCC(C)(C)CN1Cc2ccccc2C1
InChIInChI=1S/C14H21N/c1-4-14(2,3)11-15-9-12-7-5-6-8-13(12)10-15/h5-8H,4,9-11H2,1-3H3
InChIKeyIYTBPXHIYJUJGL-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanal
CID 62277527
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanoic acid
CID 62271000
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
CID 62263973
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
CID 62204648
2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-dihydroisoindole
CID 65015648
2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine
CID 114125042
2-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)-2-methylpropanamide
CID 62230821
1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
CID 144727735
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
CID 63192911
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole (CID 167187659) is 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole is CCC(C)(C)CN1Cc2ccccc2C1.
What is the InChIKey of 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole?
The InChIKey is IYTBPXHIYJUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-14(2,3)11-15-9-12-7-5-6-8-13(12)10-15/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole?
2-(2,2-dimethylbutyl)-1,3-dihydroisoindole has a molecular weight of 203.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-1,3-dihydroisoindole is sourced from PubChem (CID 167187659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).