7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine

C10H13ClN2 — CID 84667322

IUPAC7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
SMILESCC1NCCc2cc(N)c(Cl)cc21
InChIInChI=1S/C10H13ClN2/c1-6-8-5-9(11)10(12)4-7(8)2-3-13-6/h4-6,13H,2-3,12H2,1H3
InChIKeyMOFIRTMSQDULEW-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.13
Rot. Bonds

About 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine

7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine (PubChem CID 84667322) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine.

Molecular Properties

Compound Name7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
PubChem CID84667322
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
SMILESCC1NCCc2cc(N)c(Cl)cc21
InChIInChI=1S/C10H13ClN2/c1-6-8-5-9(11)10(12)4-7(8)2-3-13-6/h4-6,13H,2-3,12H2,1H3
InChIKeyMOFIRTMSQDULEW-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84655716
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
6-chloro-2,3-dihydro-1H-indol-5-amine
CID 82413004
8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
CID 83376428
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 83963307
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 130607773
(5R)-7,8-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 24773649
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 130741278
7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167735922

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine?
The IUPAC name of 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine (CID 84667322) is 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine.
What is the SMILES notation for 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine?
The canonical SMILES for 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine is CC1NCCc2cc(N)c(Cl)cc21.
What is the InChIKey of 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine?
The InChIKey is MOFIRTMSQDULEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-6-8-5-9(11)10(12)4-7(8)2-3-13-6/h4-6,13H,2-3,12H2,1H3.
What are the key properties of 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine?
7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine has a molecular weight of 196.68 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine is sourced from PubChem (CID 84667322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).