(1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine

C11H15ClN2 — CID 124676933

IUPAC(1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine
SMILESC[C@@H](N)c1c(Cl)ncc2c1CCCC2
InChIInChI=1S/C11H15ClN2/c1-7(13)10-9-5-3-2-4-8(9)6-14-11(10)12/h6-7H,2-5,13H2,1H3/t7-/m1/s1
InChIKeyAHHSILFATLQPKA-SSDOTTSWSA-N
MW210.71 g/mol
LogP2.63
Rot. Bonds1

About (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine

(1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine (PubChem CID 124676933) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine
PubChem CID124676933
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine
SMILESC[C@@H](N)c1c(Cl)ncc2c1CCCC2
InChIInChI=1S/C11H15ClN2/c1-7(13)10-9-5-3-2-4-8(9)6-14-11(10)12/h6-7H,2-5,13H2,1H3/t7-/m1/s1
InChIKeyAHHSILFATLQPKA-SSDOTTSWSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 12764659
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 13481189
4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 126704564
4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
1-(5,6,7,8-tetrahydroquinazolin-2-yl)propan-2-amine
CID 105445499
(1R)-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 130682579
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350898
(1S)-1-(1-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)-N-methylbutan-1-amine
CID 143571483
1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117352252
3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 146613270
2-amino-2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanol
CID 117427965
1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 12533018

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine?
The IUPAC name of (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine (CID 124676933) is (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine?
The canonical SMILES for (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine is C[C@@H](N)c1c(Cl)ncc2c1CCCC2.
What is the InChIKey of (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine?
The InChIKey is AHHSILFATLQPKA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-7(13)10-9-5-3-2-4-8(9)6-14-11(10)12/h6-7H,2-5,13H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine?
(1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine has a molecular weight of 210.71 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine is sourced from PubChem (CID 124676933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).