4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C14H21NO — CID 104505044

IUPAC4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCC(C)CC1CNCc2ccccc21
InChIInChI=1S/C14H21NO/c1-11(10-16-2)7-13-9-15-8-12-5-3-4-6-14(12)13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyFRPJWRLVJFBVGC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds4

About 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104505044) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID104505044
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCC(C)CC1CNCc2ccccc21
InChIInChI=1S/C14H21NO/c1-11(10-16-2)7-13-9-15-8-12-5-3-4-6-14(12)13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyFRPJWRLVJFBVGC-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104292
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262511
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262476
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262336
4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504939
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939949
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 104505044) is 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is COCC(C)CC1CNCc2ccccc21.
What is the InChIKey of 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FRPJWRLVJFBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(10-16-2)7-13-9-15-8-12-5-3-4-6-14(12)13/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104505044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).