2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C11H15ClN2 — CID 82279824

IUPAC2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESNCCN1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C11H15ClN2/c12-11-2-1-10-8-14(6-4-13)5-3-9(10)7-11/h1-2,7H,3-6,8,13H2
InChIKeyFBCWIAUNUWCSKB-UHFFFAOYSA-N
MW210.71 g/mol
LogP1.66
Rot. Bonds2

About 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 82279824) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID82279824
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESNCCN1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C11H15ClN2/c12-11-2-1-10-8-14(6-4-13)5-3-9(10)7-11/h1-2,7H,3-6,8,13H2
InChIKeyFBCWIAUNUWCSKB-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279846
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82582032
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
8-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11741027
5-chloro-2-propyl-1,3-dihydroisoindole
CID 178136762
2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol
CID 82164081
5-chloro-2-propyl-1,3-dihydroisoindole;ethane
CID 178136761
ethyl 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]piperidine-1-carboxylate
CID 15181465
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
N-[[4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]acetamide
CID 166719135

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 82279824) is 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is NCCN1CCc2cc(Cl)ccc2C1.
What is the InChIKey of 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is FBCWIAUNUWCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-11-2-1-10-8-14(6-4-13)5-3-9(10)7-11/h1-2,7H,3-6,8,13H2.
What are the key properties of 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 210.71 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 82279824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).