N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline

C38H40N2O — CID 21019332

IUPACN-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
SMILESCCN(CCOc1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc2)cc1)c1ccccc1
InChIInChI=1S/C38H40N2O/c1-6-39(34-10-8-7-9-11-34)24-25-41-38-22-16-33(17-23-38)32-14-20-35(21-15-32)40(36-18-12-28(2)30(4)26-36)37-19-13-29(3)31(5)27-37/h7-23,26-27H,6,24-25H2,1-5H3
InChIKeyYIBBQHXKXCMOON-UHFFFAOYSA-N
MW540.75 g/mol
LogP9.96
Rot. Bonds10

About N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline

N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline (PubChem CID 21019332) has the molecular formula C38H40N2O and a molecular weight of 540.75 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
PubChem CID21019332
Molecular FormulaC38H40N2O
Molecular Weight540.75 g/mol
Exact Mass540.31
IUPAC NameN-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
SMILESCCN(CCOc1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc2)cc1)c1ccccc1
InChIInChI=1S/C38H40N2O/c1-6-39(34-10-8-7-9-11-34)24-25-41-38-22-16-33(17-23-38)32-14-20-35(21-15-32)40(36-18-12-28(2)30(4)26-36)37-19-13-29(3)31(5)27-37/h7-23,26-27H,6,24-25H2,1-5H3
InChIKeyYIBBQHXKXCMOON-UHFFFAOYSA-N
XLogP9.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol
CID 20580129
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790
4-[2-(N-ethylanilino)ethoxy]-2-methylaniline
CID 39369760
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
CID 54226224
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
N-[2-(4-chlorophenoxy)ethyl]-N-ethylaniline;oxirane
CID 88818117
N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 118245572
N-(4-butoxyphenyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 54806162
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline (CID 21019332) is N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline is CCN(CCOc1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline?
The InChIKey is YIBBQHXKXCMOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O/c1-6-39(34-10-8-7-9-11-34)24-25-41-38-22-16-33(17-23-38)32-14-20-35(21-15-32)40(36-18-12-28(2)30(4)26-36)37-19-13-29(3)31(5)27-37/h7-23,26-27H,6,24-25H2,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline?
N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline has a molecular weight of 540.75 g/mol, XLogP of 9.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline is sourced from PubChem (CID 21019332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).