1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline

C17H19NO — CID 102127017

IUPAC1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-19-16-10-8-14(9-11-16)13-18-12-4-6-15-5-2-3-7-17(15)18/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyIBTPDKXGKQXSBY-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.65
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline

1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 102127017) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID102127017
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-19-16-10-8-14(9-11-16)13-18-12-4-6-15-5-2-3-7-17(15)18/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyIBTPDKXGKQXSBY-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline (CID 102127017) is 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline is COc1ccc(CN2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is IBTPDKXGKQXSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-16-10-8-14(9-11-16)13-18-12-4-6-15-5-2-3-7-17(15)18/h2-3,5,7-11H,4,6,12-13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline?
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 253.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 102127017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).