4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

C16H16ClN — CID 10355130

IUPAC4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H16ClN/c1-18-10-13-4-2-3-5-15(13)16(11-18)12-6-8-14(17)9-7-12/h2-9,16H,10-11H2,1H3
InChIKeyUIVAIANIXTWVHO-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.92
Rot. Bonds1

About 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10355130) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID10355130
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H16ClN/c1-18-10-13-4-2-3-5-15(13)16(11-18)12-6-8-14(17)9-7-12/h2-9,16H,10-11H2,1H3
InChIKeyUIVAIANIXTWVHO-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorcyclizine
CID 2710
Chlorcyclizine Hydrochloride
CID 62413
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;HBr
CID 13646438
Chlorcyclizine, (R)-
CID 688438
2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
CID 436347
2-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 4141883
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
CID 9837874
4-(4-Chlorophenyl)-1-propylpiperidine
CID 70686262
2,7,8-Trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 10220615
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 10355130) is 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is UIVAIANIXTWVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-18-10-13-4-2-3-5-15(13)16(11-18)12-6-8-14(17)9-7-12/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 257.76 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10355130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).