4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline

C28H27NO2 — CID 58701260

IUPAC4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
SMILESCC(C)COc1ccc(Oc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27NO2/c1-22(2)21-30-26-17-19-28(20-18-26)31-27-15-13-25(14-16-27)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,22H,21H2,1-2H3
InChIKeyFTAPMSPUSZUNMW-UHFFFAOYSA-N
MW409.53 g/mol
LogP7.98
Rot. Bonds8

About 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline

4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline (PubChem CID 58701260) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
PubChem CID58701260
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
SMILESCC(C)COc1ccc(Oc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27NO2/c1-22(2)21-30-26-17-19-28(20-18-26)31-27-15-13-25(14-16-27)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,22H,21H2,1-2H3
InChIKeyFTAPMSPUSZUNMW-UHFFFAOYSA-N
XLogP7.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline
CID 90278077
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
CID 19424117
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
CID 59196878
1-N,4-N-diphenyl-1-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59197003
3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 82073791
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-methoxy-N-(4-methoxyphenyl)-N-(1-phenoxypropan-2-yl)aniline
CID 139670197
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone
CID 71233054
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
CID 71095161

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline (CID 58701260) is 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline is CC(C)COc1ccc(Oc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline?
The InChIKey is FTAPMSPUSZUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-22(2)21-30-26-17-19-28(20-18-26)31-27-15-13-25(14-16-27)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,22H,21H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline?
4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline has a molecular weight of 409.53 g/mol, XLogP of 7.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline is sourced from PubChem (CID 58701260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).