4-methyl-3-phenyl-6,7-dihydroisoquinoline

C16H15N — CID 123589863

IUPAC4-methyl-3-phenyl-6,7-dihydroisoquinoline
SMILESCc1c(-c2ccccc2)ncc2c1=CCCC=2
InChIInChI=1S/C16H15N/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13/h2-4,7-11H,5-6H2,1H3
InChIKeyNAXJIUJPSFFRMN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.41
Rot. Bonds1

About 4-methyl-3-phenyl-6,7-dihydroisoquinoline

4-methyl-3-phenyl-6,7-dihydroisoquinoline (PubChem CID 123589863) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methyl-3-phenyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name4-methyl-3-phenyl-6,7-dihydroisoquinoline
PubChem CID123589863
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name4-methyl-3-phenyl-6,7-dihydroisoquinoline
SMILESCc1c(-c2ccccc2)ncc2c1=CCCC=2
InChIInChI=1S/C16H15N/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13/h2-4,7-11H,5-6H2,1H3
InChIKeyNAXJIUJPSFFRMN-UHFFFAOYSA-N
XLogP2.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trimethyl-2-phenylpyridine
CID 59359504
5-chloro-3-methyl-2,4-diphenylpyridine
CID 175042905
3-methyl-2-phenylpyridine-4-carboxylic acid
CID 83916989
2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
5-fluoro-3-methyl-2-phenylpyridine
CID 46314858
3,4,5-trimethyl-6-phenylpyridazine
CID 169124700
4-cyclopropyl-3-methyl-2-phenylpyridine
CID 152579101
6-methyl-5-phenyl-1H-pyrazine-2-thione
CID 20978320
5-methyl-2-(4-methylphenyl)-3-phenylpyridine
CID 142961722
4-chloro-5-methyl-2,3-diphenylpyridine
CID 164527932
1,4,5,8-tetraphenyl-2,6-naphthyridine
CID 13154164
5-chloro-4-methyl-6-phenylpyridine-3-carbonitrile
CID 69057731

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-6,7-dihydroisoquinoline?
The IUPAC name of 4-methyl-3-phenyl-6,7-dihydroisoquinoline (CID 123589863) is 4-methyl-3-phenyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 4-methyl-3-phenyl-6,7-dihydroisoquinoline?
The canonical SMILES for 4-methyl-3-phenyl-6,7-dihydroisoquinoline is Cc1c(-c2ccccc2)ncc2c1=CCCC=2.
What is the InChIKey of 4-methyl-3-phenyl-6,7-dihydroisoquinoline?
The InChIKey is NAXJIUJPSFFRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13/h2-4,7-11H,5-6H2,1H3.
What are the key properties of 4-methyl-3-phenyl-6,7-dihydroisoquinoline?
4-methyl-3-phenyl-6,7-dihydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 123589863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).