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

C17H19NO — CID 63868794

IUPAC4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccccc1CC1CCNc2ccccc21
InChIInChI=1S/C17H19NO/c1-19-17-9-5-2-6-14(17)12-13-10-11-18-16-8-4-3-7-15(13)16/h2-9,13,18H,10-12H2,1H3
InChIKeyUIOJKEAGQUXJOX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.84
Rot. Bonds3

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

4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63868794) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63868794
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccccc1CC1CCNc2ccccc21
InChIInChI=1S/C17H19NO/c1-19-17-9-5-2-6-14(17)12-13-10-11-18-16-8-4-3-7-15(13)16/h2-9,13,18H,10-12H2,1H3
InChIKeyUIOJKEAGQUXJOX-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866886
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866891
3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70842438
4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79704094
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine
CID 114277135
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
4-methoxy-1,2,3,4-tetrahydroquinoline
CID 82275496

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 63868794) is 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline is COc1ccccc1CC1CCNc2ccccc21.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is UIOJKEAGQUXJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-17-9-5-2-6-14(17)12-13-10-11-18-16-8-4-3-7-15(13)16/h2-9,13,18H,10-12H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 253.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63868794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).