2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline

C16H18ClNO — CID 115555233

IUPAC2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccccc1C(C)C
InChIInChI=1S/C16H18ClNO/c1-10(2)12-6-4-5-7-15(12)19-16-9-13(17)14(18)8-11(16)3/h4-10H,18H2,1-3H3
InChIKeyIVVJKSXQQVTRAN-UHFFFAOYSA-N
MW275.78 g/mol
LogP5.15
Rot. Bonds3

About 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline

2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline (PubChem CID 115555233) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
PubChem CID115555233
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccccc1C(C)C
InChIInChI=1S/C16H18ClNO/c1-10(2)12-6-4-5-7-15(12)19-16-9-13(17)14(18)8-11(16)3/h4-10H,18H2,1-3H3
InChIKeyIVVJKSXQQVTRAN-UHFFFAOYSA-N
XLogP5.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.78
LogP ≤ 55.15
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

2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
4-(2-bromo-4-methylphenoxy)-2-chloro-5-methylaniline
CID 113334445
2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803808
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]methanol
CID 62124011
2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
CID 115555244
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
2-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline?
The IUPAC name of 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline (CID 115555233) is 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline?
The canonical SMILES for 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline is Cc1cc(N)c(Cl)cc1Oc1ccccc1C(C)C.
What is the InChIKey of 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline?
The InChIKey is IVVJKSXQQVTRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10(2)12-6-4-5-7-15(12)19-16-9-13(17)14(18)8-11(16)3/h4-10H,18H2,1-3H3.
What are the key properties of 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline?
2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline has a molecular weight of 275.78 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 115555233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).