N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline

C23H25NO2 — CID 18996772

IUPACN-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
SMILESCCCCOc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-3-4-18-26-23-16-12-21(13-17-23)24(19-8-6-5-7-9-19)20-10-14-22(25-2)15-11-20/h5-17H,3-4,18H2,1-2H3
InChIKeyKWSNLVSSIGWIMP-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.34
Rot. Bonds8

About N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline

N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline (PubChem CID 18996772) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
PubChem CID18996772
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC NameN-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
SMILESCCCCOc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-3-4-18-26-23-16-12-21(13-17-23)24(19-8-6-5-7-9-19)20-10-14-22(25-2)15-11-20/h5-17H,3-4,18H2,1-2H3
InChIKeyKWSNLVSSIGWIMP-UHFFFAOYSA-N
XLogP6.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
CID 157213246
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline?
The IUPAC name of N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline (CID 18996772) is N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline.
What is the SMILES notation for N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline?
The canonical SMILES for N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline is CCCCOc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline?
The InChIKey is KWSNLVSSIGWIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-4-18-26-23-16-12-21(13-17-23)24(19-8-6-5-7-9-19)20-10-14-22(25-2)15-11-20/h5-17H,3-4,18H2,1-2H3.
What are the key properties of N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline?
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline has a molecular weight of 347.46 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline is sourced from PubChem (CID 18996772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).