N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline

C46H48N2O — CID 59649188

IUPACN-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline
SMILESCCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCOC)cc4)c4ccc(C)c(C)c4)cc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C46H48N2O/c1-7-8-37-11-21-41(22-12-37)47(45-19-9-33(2)35(4)31-45)43-25-15-39(16-26-43)40-17-27-44(28-18-40)48(46-20-10-34(3)36(5)32-46)42-23-13-38(14-24-42)29-30-49-6/h9-28,31-32H,7-8,29-30H2,1-6H3
InChIKeyACNXJJSAJNNSTH-UHFFFAOYSA-N
MW644.90 g/mol
LogP12.67
Rot. Bonds12

About N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline

N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline (PubChem CID 59649188) has the molecular formula C46H48N2O and a molecular weight of 644.90 g/mol. Its IUPAC name is N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline
PubChem CID59649188
Molecular FormulaC46H48N2O
Molecular Weight644.90 g/mol
Exact Mass644.38
IUPAC NameN-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline
SMILESCCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCOC)cc4)c4ccc(C)c(C)c4)cc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C46H48N2O/c1-7-8-37-11-21-41(22-12-37)47(45-19-9-33(2)35(4)31-45)43-25-15-39(16-26-43)40-17-27-44(28-18-40)48(46-20-10-34(3)36(5)32-46)42-23-13-38(14-24-42)29-30-49-6/h9-28,31-32H,7-8,29-30H2,1-6H3
InChIKeyACNXJJSAJNNSTH-UHFFFAOYSA-N
XLogP12.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.90
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline with MolForge

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-N-(3,4-dimethylphenyl)-3,4-dimethylaniline
CID 22900107
2-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]ethyl prop-2-enoate
CID 170007474
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
CID 67658783
1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
CID 58090333
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
CID 58571420
N-[4-[4-[4-[4-(4-bromo-2,6-dimethylphenyl)-N-[3-methyl-4-(4-propylphenyl)phenyl]anilino]-2-methylphenyl]-2,5-dimethylphenyl]-3-methylphenyl]-N-[4-(4-bromo-2,6-dimethylphenyl)phenyl]-3-methyl-4-(4-propylphenyl)aniline
CID 54766780
4-[N-(3,4-dimethylphenyl)-4-[2-[4-(N-(3,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethyl]anilino]benzaldehyde
CID 89418016

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline?
The IUPAC name of N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline (CID 59649188) is N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline?
The canonical SMILES for N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline is CCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCOC)cc4)c4ccc(C)c(C)c4)cc3)cc2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline?
The InChIKey is ACNXJJSAJNNSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2O/c1-7-8-37-11-21-41(22-12-37)47(45-19-9-33(2)35(4)31-45)43-25-15-39(16-26-43)40-17-27-44(28-18-40)48(46-20-10-34(3)36(5)32-46)42-23-13-38(14-24-42)29-30-49-6/h9-28,31-32H,7-8,29-30H2,1-6H3.
What are the key properties of N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline?
N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline has a molecular weight of 644.90 g/mol, XLogP of 12.67, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline is sourced from PubChem (CID 59649188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).