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

C14H13Cl2NO — CID 65124497

IUPAC3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
SMILESNc1ccc(COCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(17)7-14(11)16/h1-7H,8-9,17H2
InChIKeyQAWOZFIIVJMRIF-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.29
Rot. Bonds4

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

3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline (PubChem CID 65124497) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
PubChem CID65124497
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
SMILESNc1ccc(COCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(17)7-14(11)16/h1-7H,8-9,17H2
InChIKeyQAWOZFIIVJMRIF-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

5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124394
3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile
CID 102665943
4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline
CID 43350184
4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
CID 112651663
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
7-[(4-chlorophenyl)methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65124921
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline
CID 43381965
4-[(4-chlorophenyl)methoxymethyl]-3-fluorobenzenecarbothioamide
CID 65126216
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline?
The IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline (CID 65124497) is 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline.
What is the SMILES notation for 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline?
The canonical SMILES for 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline is Nc1ccc(COCc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline?
The InChIKey is QAWOZFIIVJMRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(17)7-14(11)16/h1-7H,8-9,17H2.
What are the key properties of 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline?
3-chloro-4-[(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 3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline is sourced from PubChem (CID 65124497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).