5-(4-chlorophenoxy)-2-methylaniline

C13H12ClNO — CID 91301479

IUPAC5-(4-chlorophenoxy)-2-methylaniline
SMILESCc1ccc(Oc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C13H12ClNO/c1-9-2-5-12(8-13(9)15)16-11-6-3-10(14)4-7-11/h2-8H,15H2,1H3
InChIKeyYSGFEVMSLFJVHD-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.02
Rot. Bonds2

About 5-(4-chlorophenoxy)-2-methylaniline

5-(4-chlorophenoxy)-2-methylaniline (PubChem CID 91301479) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-2-methylaniline.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-2-methylaniline
PubChem CID91301479
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name5-(4-chlorophenoxy)-2-methylaniline
SMILESCc1ccc(Oc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C13H12ClNO/c1-9-2-5-12(8-13(9)15)16-11-6-3-10(14)4-7-11/h2-8H,15H2,1H3
InChIKeyYSGFEVMSLFJVHD-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.02
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

1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
CID 70625641
4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
CID 114252551
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
5-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylaniline
CID 114252547
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-2-methylaniline?
The IUPAC name of 5-(4-chlorophenoxy)-2-methylaniline (CID 91301479) is 5-(4-chlorophenoxy)-2-methylaniline.
What is the SMILES notation for 5-(4-chlorophenoxy)-2-methylaniline?
The canonical SMILES for 5-(4-chlorophenoxy)-2-methylaniline is Cc1ccc(Oc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 5-(4-chlorophenoxy)-2-methylaniline?
The InChIKey is YSGFEVMSLFJVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-2-5-12(8-13(9)15)16-11-6-3-10(14)4-7-11/h2-8H,15H2,1H3.
What are the key properties of 5-(4-chlorophenoxy)-2-methylaniline?
5-(4-chlorophenoxy)-2-methylaniline has a molecular weight of 233.70 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-2-methylaniline is sourced from PubChem (CID 91301479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).