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

C15H16ClNO2 — CID 43350184

IUPAC4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline
SMILESCOc1ccc(COCc2cc(N)ccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-18-14-5-2-11(3-6-14)9-19-10-12-8-13(17)4-7-15(12)16/h2-8H,9-10,17H2,1H3
InChIKeyRAXMEOQRZTZNLS-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.65
Rot. Bonds5

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

4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline (PubChem CID 43350184) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline
PubChem CID43350184
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline
SMILESCOc1ccc(COCc2cc(N)ccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-18-14-5-2-11(3-6-14)9-19-10-12-8-13(17)4-7-15(12)16/h2-8H,9-10,17H2,1H3
InChIKeyRAXMEOQRZTZNLS-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.65
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

4-chloro-3-[(4-propylphenoxy)methyl]aniline
CID 55191486
3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124497
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
CID 43174442
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
3-chloro-4-[(4-methoxyphenyl)methylsulfonyl]aniline
CID 81182142
[2-[(4-chlorophenyl)methoxymethyl]-4-methoxyphenyl]boronic acid
CID 65327890
4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
CID 62155640
5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide
CID 87609736
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
4-chloro-3-(4,4,4-trifluorobutoxymethyl)aniline
CID 82788714

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline?
The IUPAC name of 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline (CID 43350184) is 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline.
What is the SMILES notation for 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline?
The canonical SMILES for 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline is COc1ccc(COCc2cc(N)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline?
The InChIKey is RAXMEOQRZTZNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-14-5-2-11(3-6-14)9-19-10-12-8-13(17)4-7-15(12)16/h2-8H,9-10,17H2,1H3.
What are the key properties of 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline?
4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline has a molecular weight of 277.75 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline is sourced from PubChem (CID 43350184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).