2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline

C15H23N — CID 171523681

IUPAC2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(C(C)CC)CC2
InChIInChI=1S/C15H23N/c1-4-12(3)16-9-8-14-7-6-13(5-2)10-15(14)11-16/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyMJYHLAZTVWSTAK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.41
Rot. Bonds3

About 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline

2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 171523681) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline
PubChem CID171523681
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(C(C)CC)CC2
InChIInChI=1S/C15H23N/c1-4-12(3)16-9-8-14-7-6-13(5-2)10-15(14)11-16/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyMJYHLAZTVWSTAK-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523545
2-[(2R)-butan-2-yl]-3,4-dihydro-1H-isoquinoline-7,8-diamine
CID 129362478
2-butan-2-yl-6-[(3E,5Z,7E)-8-chloro-3,4-dimethylnona-3,5,7-trienyl]-3,4-dihydro-1H-isoquinoline
CID 139353284
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
CID 176702451
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline (CID 171523681) is 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline is CCc1ccc2c(c1)CN(C(C)CC)CC2.
What is the InChIKey of 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is MJYHLAZTVWSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-12(3)16-9-8-14-7-6-13(5-2)10-15(14)11-16/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline?
2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 171523681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).