5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline

C13H10Cl3NO — CID 55037402

IUPAC5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
SMILESNc1cc(Cl)ccc1COc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl3NO/c14-9-5-4-8(11(17)6-9)7-18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2
InChIKeyOQRADTIDSXGBIV-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.81
Rot. Bonds3

About 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline

5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline (PubChem CID 55037402) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
PubChem CID55037402
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
SMILESNc1cc(Cl)ccc1COc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl3NO/c14-9-5-4-8(11(17)6-9)7-18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2
InChIKeyOQRADTIDSXGBIV-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.81
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-[(2-fluorophenoxy)methyl]aniline
CID 62102569
5-chloro-2-(quinolin-5-yloxymethyl)aniline
CID 103044256
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline
CID 65318206
5-bromo-2-[(2-chlorophenoxy)methyl]aniline
CID 114380727
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891
[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107878986
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline?
The IUPAC name of 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline (CID 55037402) is 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline?
The canonical SMILES for 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline is Nc1cc(Cl)ccc1COc1cccc(Cl)c1Cl.
What is the InChIKey of 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline?
The InChIKey is OQRADTIDSXGBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c14-9-5-4-8(11(17)6-9)7-18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2.
What are the key properties of 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline?
5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline has a molecular weight of 302.59 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline is sourced from PubChem (CID 55037402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).