7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

C17H19NO — CID 115104157

IUPAC7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(OCc2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C17H19NO/c1-13-2-6-17(7-3-13)19-12-14-4-5-15-8-9-18-11-16(15)10-14/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyLBEZXHZLANZXBK-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.22
Rot. Bonds3

About 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104157) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104157
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(OCc2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C17H19NO/c1-13-2-6-17(7-3-13)19-12-14-4-5-15-8-9-18-11-16(15)10-14/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyLBEZXHZLANZXBK-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104581
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
CID 59027955
7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104179
3-[6-(4-methylphenoxy)hexyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 153457662
3-[10-(4-methylphenoxy)decyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 153457684
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104574

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 115104157) is 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(OCc2ccc3c(c2)CNCC3)cc1.
What is the InChIKey of 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LBEZXHZLANZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-2-6-17(7-3-13)19-12-14-4-5-15-8-9-18-11-16(15)10-14/h2-7,10,18H,8-9,11-12H2,1H3.
What are the key properties of 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 253.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).