5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline

C14H13Cl2NO — CID 65124394

IUPAC5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
SMILESNc1cc(Cl)ccc1COCc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)7-14(11)17/h1-7H,8-9,17H2
InChIKeySGFFKTTUQXZBPS-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.29
Rot. Bonds4

About 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline

5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline (PubChem CID 65124394) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
PubChem CID65124394
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
SMILESNc1cc(Cl)ccc1COCc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)7-14(11)17/h1-7H,8-9,17H2
InChIKeySGFFKTTUQXZBPS-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124497
7-[(4-chlorophenyl)methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65124921
5-chloro-2-(3,3,3-trifluoropropoxymethyl)aniline
CID 82955578
4-[(4-chlorophenyl)methoxymethyl]-3-fluorobenzenecarbothioamide
CID 65126216
3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile
CID 102665943
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
5-chloro-2-(oxetan-3-yloxymethyl)aniline
CID 102605621
4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene
CID 155534061
5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
CID 55037402
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline (CID 65124394) is 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline is Nc1cc(Cl)ccc1COCc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline?
The InChIKey is SGFFKTTUQXZBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)7-14(11)17/h1-7H,8-9,17H2.
What are the key properties of 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline?
5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline has a molecular weight of 282.17 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline is sourced from PubChem (CID 65124394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).