2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C20H25N — CID 79233018

IUPAC2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCc1ccc(CC2CC(C)Nc3ccccc32)cc1
InChIInChI=1S/C20H25N/c1-3-6-16-9-11-17(12-10-16)14-18-13-15(2)21-20-8-5-4-7-19(18)20/h4-5,7-12,15,18,21H,3,6,13-14H2,1-2H3
InChIKeyYYHIGVRKHAGAPH-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.17
Rot. Bonds4

About 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 79233018) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID79233018
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCc1ccc(CC2CC(C)Nc3ccccc32)cc1
InChIInChI=1S/C20H25N/c1-3-6-16-9-11-17(12-10-16)14-18-13-15(2)21-20-8-5-4-7-19(18)20/h4-5,7-12,15,18,21H,3,6,13-14H2,1-2H3
InChIKeyYYHIGVRKHAGAPH-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 79233018) is 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is CCCc1ccc(CC2CC(C)Nc3ccccc32)cc1.
What is the InChIKey of 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is YYHIGVRKHAGAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-6-16-9-11-17(12-10-16)14-18-13-15(2)21-20-8-5-4-7-19(18)20/h4-5,7-12,15,18,21H,3,6,13-14H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79233018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).