(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

C11H15N — CID 86326273

IUPAC(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNC[C@H]2C
InChIInChI=1S/C11H15N/c1-8-3-4-11-9(2)6-12-7-10(11)5-8/h3-5,9,12H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyFLTARDXHEOXMNX-SECBINFHSA-N
MW161.25 g/mol
LogP2.20
Rot. Bonds

About (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 86326273) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID86326273
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNC[C@H]2C
InChIInChI=1S/C11H15N/c1-8-3-4-11-9(2)6-12-7-10(11)5-8/h3-5,9,12H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyFLTARDXHEOXMNX-SECBINFHSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 162434944
(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
CID 82584286
4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84717063
6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 146174151
6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 163872656
3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
CID 82584306
methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 82584290
1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
CID 84737209
(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
CID 98533107
4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82584938
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420

Frequently Asked Questions

What is the IUPAC name of (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 86326273) is (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CNC[C@H]2C.
What is the InChIKey of (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FLTARDXHEOXMNX-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N/c1-8-3-4-11-9(2)6-12-7-10(11)5-8/h3-5,9,12H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 86326273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).