6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline

C13H19N — CID 89043863

IUPAC6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2cc(C)ccc2C1
InChIInChI=1S/C13H19N/c1-3-7-14-8-6-12-9-11(2)4-5-13(12)10-14/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyRYFJLAXCAFQIJY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.76
Rot. Bonds2

About 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline

6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline (PubChem CID 89043863) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
PubChem CID89043863
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2cc(C)ccc2C1
InChIInChI=1S/C13H19N/c1-3-7-14-8-6-12-9-11(2)4-5-13(12)10-14/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyRYFJLAXCAFQIJY-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline
CID 7046
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10375551
7-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 13805378
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
CID 14027805
7-Cyano-1,2,3,4-tetrahydroisoquinoline
CID 10176243
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
2-Phenyl-2-(1-piperidinyl)propane
CID 210768
1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
CID 45487178
1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
CID 765796
2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
CID 436347

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline (CID 89043863) is 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline is CCCN1CCc2cc(C)ccc2C1.
What is the InChIKey of 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RYFJLAXCAFQIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-7-14-8-6-12-9-11(2)4-5-13(12)10-14/h4-5,9H,3,6-8,10H2,1-2H3.
What are the key properties of 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline?
6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 89043863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).