1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine

C38H40N2O4 — CID 21254489

IUPAC1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C38H40N2O4/c1-41-35-17-5-29(6-18-35)25-39(26-30-7-19-36(42-2)20-8-30)33-13-15-34(16-14-33)40(27-31-9-21-37(43-3)22-10-31)28-32-11-23-38(44-4)24-12-32/h5-24H,25-28H2,1-4H3
InChIKeyJQRGFNLRUUDCEG-UHFFFAOYSA-N
MW588.75 g/mol
LogP8.13
Rot. Bonds14

About 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine (PubChem CID 21254489) has the molecular formula C38H40N2O4 and a molecular weight of 588.75 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
PubChem CID21254489
Molecular FormulaC38H40N2O4
Molecular Weight588.75 g/mol
Exact Mass588.30
IUPAC Name1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C38H40N2O4/c1-41-35-17-5-29(6-18-35)25-39(26-30-7-19-36(42-2)20-8-30)33-13-15-34(16-14-33)40(27-31-9-21-37(43-3)22-10-31)28-32-11-23-38(44-4)24-12-32/h5-24H,25-28H2,1-4H3
InChIKeyJQRGFNLRUUDCEG-UHFFFAOYSA-N
XLogP8.13
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine with MolForge

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Related Compounds

N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
4-methoxy-N,N-bis(methoxymethyl)aniline
CID 89468483
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
CID 154621156
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
CID 138519701
4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 154621249
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine (CID 21254489) is 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine?
The InChIKey is JQRGFNLRUUDCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O4/c1-41-35-17-5-29(6-18-35)25-39(26-30-7-19-36(42-2)20-8-30)33-13-15-34(16-14-33)40(27-31-9-21-37(43-3)22-10-31)28-32-11-23-38(44-4)24-12-32/h5-24H,25-28H2,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine has a molecular weight of 588.75 g/mol, XLogP of 8.13, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 21254489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).