4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline

C20H18ClNO2 — CID 142720853

IUPAC4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H18ClNO2/c1-23-18-8-2-15(3-9-18)14-22-17-6-12-20(13-7-17)24-19-10-4-16(21)5-11-19/h2-13,22H,14H2,1H3
InChIKeyFCXOAQGXFKDRBM-UHFFFAOYSA-N
MW339.82 g/mol
LogP5.75
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline

4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 142720853) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID142720853
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H18ClNO2/c1-23-18-8-2-15(3-9-18)14-22-17-6-12-20(13-7-17)24-19-10-4-16(21)5-11-19/h2-13,22H,14H2,1H3
InChIKeyFCXOAQGXFKDRBM-UHFFFAOYSA-N
XLogP5.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.82
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
1-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)hydrazine;hydrochloride
CID 67841051
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
N-[(2-chloropyrimidin-5-yl)methyl]-4-methoxyaniline
CID 167053365
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
N-[(4-butan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 54796354
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol
CID 126119272
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline (CID 142720853) is 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(Oc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is FCXOAQGXFKDRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-23-18-8-2-15(3-9-18)14-22-17-6-12-20(13-7-17)24-19-10-4-16(21)5-11-19/h2-13,22H,14H2,1H3.
What are the key properties of 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline?
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 339.82 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 142720853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).