N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline

C23H24ClNO2 — CID 126118107

IUPACN-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H24ClNO2/c1-3-26-21-11-9-20(10-12-21)25-15-19-8-13-23(22(24)14-19)27-16-18-6-4-17(2)5-7-18/h4-14,25H,3,15-16H2,1-2H3
InChIKeyDZGVQIARKJMEEW-UHFFFAOYSA-N
MW381.90 g/mol
LogP6.24
Rot. Bonds8

About N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline

N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline (PubChem CID 126118107) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
PubChem CID126118107
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC NameN-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H24ClNO2/c1-3-26-21-11-9-20(10-12-21)25-15-19-8-13-23(22(24)14-19)27-16-18-6-4-17(2)5-7-18/h4-14,25H,3,15-16H2,1-2H3
InChIKeyDZGVQIARKJMEEW-UHFFFAOYSA-N
XLogP6.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
CID 126124597
2-[2-chloro-4-[(4-ethoxyanilino)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 5022437
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128389
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 17158567
2-chloro-6-ethoxy-4-[(4-ethoxyanilino)methyl]phenol
CID 83455060
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]methyl]-4-methylaniline
CID 126120752
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
4-ethoxy-N-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126116262
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline?
The IUPAC name of N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline (CID 126118107) is N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline.
What is the SMILES notation for N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline?
The canonical SMILES for N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline is CCOc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1.
What is the InChIKey of N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline?
The InChIKey is DZGVQIARKJMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-3-26-21-11-9-20(10-12-21)25-15-19-8-13-23(22(24)14-19)27-16-18-6-4-17(2)5-7-18/h4-14,25H,3,15-16H2,1-2H3.
What are the key properties of N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline?
N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline has a molecular weight of 381.90 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline is sourced from PubChem (CID 126118107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).