N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

C32H30N2O2 — CID 146571773

IUPACN-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2c(C)oc3c(N=C(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C32H30N2O2/c1-23-29(22-34(2)21-24-17-19-27(35-3)20-18-24)28-15-10-16-30(32(28)36-23)33-31(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-20H,21-22H2,1-3H3
InChIKeyCSPAUDPLOHHOIO-UHFFFAOYSA-N
MW474.60 g/mol
LogP7.55
Rot. Bonds8

About N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 146571773) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID146571773
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC NameN-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2c(C)oc3c(N=C(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C32H30N2O2/c1-23-29(22-34(2)21-24-17-19-27(35-3)20-18-24)28-15-10-16-30(32(28)36-23)33-31(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-20H,21-22H2,1-3H3
InChIKeyCSPAUDPLOHHOIO-UHFFFAOYSA-N
XLogP7.55
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
5-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 1426435
3-anthracen-9-yl-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 156612694
methyl 3-hydroxy-4-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalene-2-carboxylate
CID 9239112
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methylphenyl)carbamimidothioate
CID 17255997
1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
CID 144623857
N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine
CID 170773840
1-(2-methoxynaphthalen-1-yl)-N-(2-methylphenyl)-1-phenylmethanimine
CID 3777936
benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-propan-2-ylphenyl)carbamimidothioate
CID 17256361

Frequently Asked Questions

What is the IUPAC name of N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (CID 146571773) is N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2c(C)oc3c(N=C(c4ccccc4)c4ccccc4)cccc23)cc1.
What is the InChIKey of N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is CSPAUDPLOHHOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-23-29(22-34(2)21-24-17-19-27(35-3)20-18-24)28-15-10-16-30(32(28)36-23)33-31(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-20H,21-22H2,1-3H3.
What are the key properties of N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 474.60 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 146571773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).