2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine

C14H22N2 — CID 84786382

IUPAC2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
SMILESCC(C)N1CCc2cccc(CCN)c2C1
InChIInChI=1S/C14H22N2/c1-11(2)16-9-7-13-5-3-4-12(6-8-15)14(13)10-16/h3-5,11H,6-10,15H2,1-2H3
InChIKeyIMMISNLFBJZQDE-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.95
Rot. Bonds3

About 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine

2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine (PubChem CID 84786382) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
PubChem CID84786382
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
SMILESCC(C)N1CCc2cccc(CCN)c2C1
InChIInChI=1S/C14H22N2/c1-11(2)16-9-7-13-5-3-4-12(6-8-15)14(13)10-16/h3-5,11H,6-10,15H2,1-2H3
InChIKeyIMMISNLFBJZQDE-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
CID 84795685
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile
CID 84783564
2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
8-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 155242264
(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol
CID 101477066
2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522154
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
1-(8-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 155043779
2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522186
2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582283
2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
CID 84778035

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine (CID 84786382) is 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine is CC(C)N1CCc2cccc(CCN)c2C1.
What is the InChIKey of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine?
The InChIKey is IMMISNLFBJZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)16-9-7-13-5-3-4-12(6-8-15)14(13)10-16/h3-5,11H,6-10,15H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine?
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine is sourced from PubChem (CID 84786382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).