[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride

C10H15ClN2 — CID 156592430

IUPAC[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H14N2.ClH/c11-6-10-5-8-3-1-2-4-9(8)7-12-10;/h1-4,10,12H,5-7,11H2;1H/t10-;/m1./s1
InChIKeyHLPPBGLPKDRWNV-HNCPQSOCSA-N
MW198.70 g/mol
LogP1.08
Rot. Bonds1

About [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride

[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride (PubChem CID 156592430) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
PubChem CID156592430
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H14N2.ClH/c11-6-10-5-8-3-1-2-4-9(8)7-12-10;/h1-4,10,12H,5-7,11H2;1H/t10-;/m1./s1
InChIKeyHLPPBGLPKDRWNV-HNCPQSOCSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513
3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 71381550
(3S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 100971194
(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899
(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59639486
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
CID 169157721
(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 105436631
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 15697325
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
CID 69189154
3-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104278

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride?
The IUPAC name of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride (CID 156592430) is [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride is Cl.NC[C@H]1Cc2ccccc2CN1.
What is the InChIKey of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride?
The InChIKey is HLPPBGLPKDRWNV-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c11-6-10-5-8-3-1-2-4-9(8)7-12-10;/h1-4,10,12H,5-7,11H2;1H/t10-;/m1./s1.
What are the key properties of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride?
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 156592430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).