4-[(4-chlorophenyl)methoxy]-2-methoxyaniline

C14H14ClNO2 — CID 65126776

IUPAC4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
SMILESCOc1cc(OCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C14H14ClNO2/c1-17-14-8-12(6-7-13(14)16)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeyPHKCNNJDNUOGJD-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.51
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline

4-[(4-chlorophenyl)methoxy]-2-methoxyaniline (PubChem CID 65126776) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
PubChem CID65126776
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
SMILESCOc1cc(OCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C14H14ClNO2/c1-17-14-8-12(6-7-13(14)16)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeyPHKCNNJDNUOGJD-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
4-(3-chloropropoxy)-2-methoxyaniline
CID 144945776
2-[2-amino-5-[(4-chlorophenyl)methoxy]phenyl]acetonitrile
CID 102624960
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141000856

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline (CID 65126776) is 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline is COc1cc(OCc2ccc(Cl)cc2)ccc1N.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline?
The InChIKey is PHKCNNJDNUOGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-14-8-12(6-7-13(14)16)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline?
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline has a molecular weight of 263.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-2-methoxyaniline is sourced from PubChem (CID 65126776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).