N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline

C24H26N2O2 — CID 54179003

IUPACN-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline
SMILESCOc1cc2c(cc1OC)C(CN(c1ccccc1)c1ccccc1)NCC2
InChIInChI=1S/C24H26N2O2/c1-27-23-15-18-13-14-25-22(21(18)16-24(23)28-2)17-26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,22,25H,13-14,17H2,1-2H3
InChIKeyPALWPXNBKVWTGL-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.73
Rot. Bonds6

About N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline

N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline (PubChem CID 54179003) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline
PubChem CID54179003
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline
SMILESCOc1cc2c(cc1OC)C(CN(c1ccccc1)c1ccccc1)NCC2
InChIInChI=1S/C24H26N2O2/c1-27-23-15-18-13-14-25-22(21(18)16-24(23)28-2)17-26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,22,25H,13-14,17H2,1-2H3
InChIKeyPALWPXNBKVWTGL-UHFFFAOYSA-N
XLogP4.73
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline with MolForge

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Related Compounds

(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
6,7-dimethoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 19610313
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
(2S)-1-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol
CID 101016948
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311
6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;oxalic acid
CID 69307329
1,3-bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-one
CID 54506652
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157143
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12934313
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline?
The IUPAC name of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline (CID 54179003) is N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline.
What is the SMILES notation for N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline?
The canonical SMILES for N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline is COc1cc2c(cc1OC)C(CN(c1ccccc1)c1ccccc1)NCC2.
What is the InChIKey of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline?
The InChIKey is PALWPXNBKVWTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-27-23-15-18-13-14-25-22(21(18)16-24(23)28-2)17-26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,22,25H,13-14,17H2,1-2H3.
What are the key properties of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline?
N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline has a molecular weight of 374.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline is sourced from PubChem (CID 54179003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).