3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline

C14H13Cl2NO — CID 65318206

IUPAC3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9-13(17)3-2-4-14(9)18-8-10-7-11(15)5-6-12(10)16/h2-7H,8,17H2,1H3
InChIKeyBGIFSDLYTFKJEQ-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.46
Rot. Bonds3

About 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline

3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline (PubChem CID 65318206) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline
PubChem CID65318206
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9-13(17)3-2-4-14(9)18-8-10-7-11(15)5-6-12(10)16/h2-7H,8,17H2,1H3
InChIKeyBGIFSDLYTFKJEQ-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.46
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-[3-(2,5-dichlorophenoxy)propoxy]-2-methylaniline
CID 82097238
3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline
CID 81499382
3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
CID 43509419
5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
CID 55037402
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline
CID 43381850
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
4-[(3-amino-2-methylphenoxy)methyl]-3-fluorobenzonitrile
CID 43437885
3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65318301

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline?
The IUPAC name of 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline (CID 65318206) is 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline is Cc1c(N)cccc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline?
The InChIKey is BGIFSDLYTFKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9-13(17)3-2-4-14(9)18-8-10-7-11(15)5-6-12(10)16/h2-7H,8,17H2,1H3.
What are the key properties of 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline?
3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline has a molecular weight of 282.17 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 65318206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).