2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C14H22N2 — CID 82582032

IUPAC2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)CN(CCN)CC2
InChIInChI=1S/C14H22N2/c1-11(2)13-4-3-12-5-7-16(8-6-15)10-14(12)9-13/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeySWQBSLXBDGZFDB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.13
Rot. Bonds3

About 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 82582032) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID82582032
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)CN(CCN)CC2
InChIInChI=1S/C14H22N2/c1-11(2)13-4-3-12-5-7-16(8-6-15)10-14(12)9-13/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeySWQBSLXBDGZFDB-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456931
7-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 171523202
propan-2-yl 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 170959483
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 168898086
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279846
7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523545
6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 171522938

Frequently Asked Questions

What is the IUPAC name of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 82582032) is 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is CC(C)c1ccc2c(c1)CN(CCN)CC2.
What is the InChIKey of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is SWQBSLXBDGZFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)13-4-3-12-5-7-16(8-6-15)10-14(12)9-13/h3-4,9,11H,5-8,10,15H2,1-2H3.
What are the key properties of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 82582032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).