N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine

C23H29NO2 — CID 11027336

IUPACN-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine
SMILESCOc1cc2c(cc1OC)C(CC/C(C)=N/Cc1ccccc1)CCC2
InChIInChI=1S/C23H29NO2/c1-17(24-16-18-8-5-4-6-9-18)12-13-19-10-7-11-20-14-22(25-2)23(26-3)15-21(19)20/h4-6,8-9,14-15,19H,7,10-13,16H2,1-3H3/b24-17+
InChIKeyDNGZLOLFVJDIMD-JJIBRWJFSA-N
MW351.49 g/mol
LogP5.57
Rot. Bonds7

About N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine

N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine (PubChem CID 11027336) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine
PubChem CID11027336
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine
SMILESCOc1cc2c(cc1OC)C(CC/C(C)=N/Cc1ccccc1)CCC2
InChIInChI=1S/C23H29NO2/c1-17(24-16-18-8-5-4-6-9-18)12-13-19-10-7-11-20-14-22(25-2)23(26-3)15-21(19)20/h4-6,8-9,14-15,19H,7,10-13,16H2,1-3H3/b24-17+
InChIKeyDNGZLOLFVJDIMD-JJIBRWJFSA-N
XLogP5.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 134998235
CID 134998235
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
CID 135704112
N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 110648025
1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine
CID 161491194
2-[(5R)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]ethanol
CID 101496419
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
6,7-dimethoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 19610313
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 118720491

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine?
The IUPAC name of N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine (CID 11027336) is N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine.
What is the SMILES notation for N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine?
The canonical SMILES for N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine is COc1cc2c(cc1OC)C(CC/C(C)=N/Cc1ccccc1)CCC2.
What is the InChIKey of N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine?
The InChIKey is DNGZLOLFVJDIMD-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17(24-16-18-8-5-4-6-9-18)12-13-19-10-7-11-20-14-22(25-2)23(26-3)15-21(19)20/h4-6,8-9,14-15,19H,7,10-13,16H2,1-3H3/b24-17+.
What are the key properties of N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine?
N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine has a molecular weight of 351.49 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-imine is sourced from PubChem (CID 11027336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).