(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

C11H15ClN2 — CID 82394731

IUPAC(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCN1CCc2cccc(Cl)c2C1CN
InChIInChI=1S/C11H15ClN2/c1-14-6-5-8-3-2-4-9(12)11(8)10(14)7-13/h2-4,10H,5-7,13H2,1H3
InChIKeyKPOMPMDVXJLRMG-UHFFFAOYSA-N
MW210.71 g/mol
LogP1.83
Rot. Bonds1

About (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (PubChem CID 82394731) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
PubChem CID82394731
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCN1CCc2cccc(Cl)c2C1CN
InChIInChI=1S/C11H15ClN2/c1-14-6-5-8-3-2-4-9(12)11(8)10(14)7-13/h2-4,10H,5-7,13H2,1H3
InChIKeyKPOMPMDVXJLRMG-UHFFFAOYSA-N
XLogP1.83
TPSA29.26 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11164521
1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
CID 25063299
[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208091
[2-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 102856242
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 105449608
(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
CID 134294877
[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584140
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995657
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 21075843
1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 139617023

Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The IUPAC name of (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (CID 82394731) is (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.
What is the SMILES notation for (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The canonical SMILES for (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is CN1CCc2cccc(Cl)c2C1CN.
What is the InChIKey of (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The InChIKey is KPOMPMDVXJLRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14-6-5-8-3-2-4-9(12)11(8)10(14)7-13/h2-4,10H,5-7,13H2,1H3.
What are the key properties of (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine has a molecular weight of 210.71 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is sourced from PubChem (CID 82394731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).