2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline

C17H20ClNO — CID 28521783

IUPAC2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
SMILESCC(C)(C)c1ccc(COc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C17H20ClNO/c1-17(2,3)13-6-4-12(5-7-13)11-20-16-9-8-14(18)10-15(16)19/h4-10H,11,19H2,1-3H3
InChIKeySUJUMRJYVWQWSZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.80
Rot. Bonds3

About 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline

2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline (PubChem CID 28521783) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
PubChem CID28521783
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
SMILESCC(C)(C)c1ccc(COc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C17H20ClNO/c1-17(2,3)13-6-4-12(5-7-13)11-20-16-9-8-14(18)10-15(16)19/h4-10H,11,19H2,1-3H3
InChIKeySUJUMRJYVWQWSZ-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
4-[(4-tert-butylphenyl)methoxy]-2-chloroaniline
CID 63404633
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
4-bromo-3-[(4-tert-butylphenyl)methoxy]aniline
CID 103009139
2-[(4-chlorophenyl)methoxy]-5-nitroaniline
CID 65127132
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
CID 157392009
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 82186044
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
CID 28981703

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline?
The IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline (CID 28521783) is 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline?
The canonical SMILES for 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline is CC(C)(C)c1ccc(COc2ccc(Cl)cc2N)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline?
The InChIKey is SUJUMRJYVWQWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-17(2,3)13-6-4-12(5-7-13)11-20-16-9-8-14(18)10-15(16)19/h4-10H,11,19H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline?
2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline has a molecular weight of 289.81 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline is sourced from PubChem (CID 28521783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).