6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

C21H25NO — CID 112513064

IUPAC6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1ccc2c(c1)C1(CC1)CNC2CCc1ccccc1C
InChIInChI=1S/C21H25NO/c1-15-5-3-4-6-16(15)7-10-20-18-9-8-17(23-2)13-19(18)21(11-12-21)14-22-20/h3-6,8-9,13,20,22H,7,10-12,14H2,1-2H3
InChIKeyZBBWOIJWFOHWBH-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.31
Rot. Bonds4

About 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 112513064) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID112513064
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1ccc2c(c1)C1(CC1)CNC2CCc1ccccc1C
InChIInChI=1S/C21H25NO/c1-15-5-3-4-6-16(15)7-10-20-18-9-8-17(23-2)13-19(18)21(11-12-21)14-22-20/h3-6,8-9,13,20,22H,7,10-12,14H2,1-2H3
InChIKeyZBBWOIJWFOHWBH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] with MolForge

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Related Compounds

1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 82304474
6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513047
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513028
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112511948
1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
CID 154098192
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778860
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 112513064) is 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is COc1ccc2c(c1)C1(CC1)CNC2CCc1ccccc1C.
What is the InChIKey of 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is ZBBWOIJWFOHWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-5-3-4-6-16(15)7-10-20-18-9-8-17(23-2)13-19(18)21(11-12-21)14-22-20/h3-6,8-9,13,20,22H,7,10-12,14H2,1-2H3.
What are the key properties of 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 307.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 112513064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).