2-(3-tert-butylphenoxy)-5-chloroaniline

C16H18ClNO — CID 26189308

IUPAC2-(3-tert-butylphenoxy)-5-chloroaniline
SMILESCC(C)(C)c1cccc(Oc2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H18ClNO/c1-16(2,3)11-5-4-6-13(9-11)19-15-8-7-12(17)10-14(15)18/h4-10H,18H2,1-3H3
InChIKeyIHVCRBWWSHWFKT-UHFFFAOYSA-N
MW275.78 g/mol
LogP5.01
Rot. Bonds2

About 2-(3-tert-butylphenoxy)-5-chloroaniline

2-(3-tert-butylphenoxy)-5-chloroaniline (PubChem CID 26189308) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-5-chloroaniline.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-5-chloroaniline
PubChem CID26189308
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-tert-butylphenoxy)-5-chloroaniline
SMILESCC(C)(C)c1cccc(Oc2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H18ClNO/c1-16(2,3)11-5-4-6-13(9-11)19-15-8-7-12(17)10-14(15)18/h4-10H,18H2,1-3H3
InChIKeyIHVCRBWWSHWFKT-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.78
LogP ≤ 55.01
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-(3-iodophenoxy)aniline
CID 43144795
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
5-bromo-2-(3-tert-butylphenoxy)-4-fluoroaniline
CID 66111747
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
(1S)-1-[4-(3-tert-butylphenoxy)-3-chlorophenyl]ethanamine
CID 78944267
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
2-amino-3-(3-tert-butylphenoxy)benzonitrile
CID 104717204
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-5-chloroaniline?
The IUPAC name of 2-(3-tert-butylphenoxy)-5-chloroaniline (CID 26189308) is 2-(3-tert-butylphenoxy)-5-chloroaniline.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-5-chloroaniline?
The canonical SMILES for 2-(3-tert-butylphenoxy)-5-chloroaniline is CC(C)(C)c1cccc(Oc2ccc(Cl)cc2N)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-5-chloroaniline?
The InChIKey is IHVCRBWWSHWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(2,3)11-5-4-6-13(9-11)19-15-8-7-12(17)10-14(15)18/h4-10H,18H2,1-3H3.
What are the key properties of 2-(3-tert-butylphenoxy)-5-chloroaniline?
2-(3-tert-butylphenoxy)-5-chloroaniline has a molecular weight of 275.78 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-5-chloroaniline is sourced from PubChem (CID 26189308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).