N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline

C29H27Cl2NO2 — CID 90397573

IUPACN,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline
SMILESCC(C)c1ccc(OCCOc2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C29H27Cl2NO2/c1-21(2)22-3-15-28(16-4-22)33-19-20-34-29-17-13-27(14-18-29)32(25-9-5-23(30)6-10-25)26-11-7-24(31)8-12-26/h3-18,21H,19-20H2,1-2H3
InChIKeyDYXOZNKKJCBKIJ-UHFFFAOYSA-N
MW492.45 g/mol
LogP9.04
Rot. Bonds9

About N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline

N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline (PubChem CID 90397573) has the molecular formula C29H27Cl2NO2 and a molecular weight of 492.45 g/mol. Its IUPAC name is N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline.

Molecular Properties

Compound NameN,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline
PubChem CID90397573
Molecular FormulaC29H27Cl2NO2
Molecular Weight492.45 g/mol
Exact Mass491.14
IUPAC NameN,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline
SMILESCC(C)c1ccc(OCCOc2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C29H27Cl2NO2/c1-21(2)22-3-15-28(16-4-22)33-19-20-34-29-17-13-27(14-18-29)32(25-9-5-23(30)6-10-25)26-11-7-24(31)8-12-26/h3-18,21H,19-20H2,1-2H3
InChIKeyDYXOZNKKJCBKIJ-UHFFFAOYSA-N
XLogP9.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 59.04
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

N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate
CID 158477245
3-[4-[N-(4-chlorophenyl)-4-(3-hydroxypropoxy)anilino]phenoxy]propan-1-ol
CID 59739465
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
4-[4-(2-bromoethoxy)-N-(4-chlorophenyl)anilino]phenol
CID 138108446
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
CID 105281210
1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
CID 161251887
2-[4-[1-(4-chlorophenyl)-2-phenylbutyl]phenoxy]-N,N-dimethylethanamine
CID 70013344
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
N,N-dimethyl-1-(4-propan-2-ylphenoxy)methanamine
CID 59918748

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline?
The IUPAC name of N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline (CID 90397573) is N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline.
What is the SMILES notation for N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline?
The canonical SMILES for N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline is CC(C)c1ccc(OCCOc2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline?
The InChIKey is DYXOZNKKJCBKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2NO2/c1-21(2)22-3-15-28(16-4-22)33-19-20-34-29-17-13-27(14-18-29)32(25-9-5-23(30)6-10-25)26-11-7-24(31)8-12-26/h3-18,21H,19-20H2,1-2H3.
What are the key properties of N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline?
N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline has a molecular weight of 492.45 g/mol, XLogP of 9.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline is sourced from PubChem (CID 90397573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).