3-[(3-chloro-4-methoxyphenyl)methoxy]aniline

C14H14ClNO2 — CID 82354171

IUPAC3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2cccc(N)c2)cc1Cl
InChIInChI=1S/C14H14ClNO2/c1-17-14-6-5-10(7-13(14)15)9-18-12-4-2-3-11(16)8-12/h2-8H,9,16H2,1H3
InChIKeyVBTWBMILLZYNCB-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.51
Rot. Bonds4

About 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline

3-[(3-chloro-4-methoxyphenyl)methoxy]aniline (PubChem CID 82354171) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
PubChem CID82354171
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2cccc(N)c2)cc1Cl
InChIInChI=1S/C14H14ClNO2/c1-17-14-6-5-10(7-13(14)15)9-18-12-4-2-3-11(16)8-12/h2-8H,9,16H2,1H3
InChIKeyVBTWBMILLZYNCB-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

3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
[5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol
CID 165145180
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
3-[2-(2,4,5-trichlorophenoxy)ethoxy]aniline
CID 43365992

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
The IUPAC name of 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline (CID 82354171) is 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline is COc1ccc(COc2cccc(N)c2)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
The InChIKey is VBTWBMILLZYNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-14-6-5-10(7-13(14)15)9-18-12-4-2-3-11(16)8-12/h2-8H,9,16H2,1H3.
What are the key properties of 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline?
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline 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 3-[(3-chloro-4-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 82354171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).