4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline

C17H19BrFNO — CID 65217353

IUPAC4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline
SMILESCc1cc(OCc2cc(F)ccc2Br)c(C(C)C)cc1N
InChIInChI=1S/C17H19BrFNO/c1-10(2)14-8-16(20)11(3)6-17(14)21-9-12-7-13(19)4-5-15(12)18/h4-8,10H,9,20H2,1-3H3
InChIKeyCUSUPXVJHKTPBX-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.18
Rot. Bonds4

About 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline

4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline (PubChem CID 65217353) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline
PubChem CID65217353
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline
SMILESCc1cc(OCc2cc(F)ccc2Br)c(C(C)C)cc1N
InChIInChI=1S/C17H19BrFNO/c1-10(2)14-8-16(20)11(3)6-17(14)21-9-12-7-13(19)4-5-15(12)18/h4-8,10H,9,20H2,1-3H3
InChIKeyCUSUPXVJHKTPBX-UHFFFAOYSA-N
XLogP5.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline 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

3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline
CID 43381850
2-[(4-amino-5-methyl-2-propan-2-ylphenoxy)methyl]benzonitrile
CID 65217468
4-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylaniline
CID 65216740
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
2-bromo-1-[(4-bromo-2-propan-2-ylphenoxy)methyl]-4-fluorobenzene
CID 115402119
4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
CID 65365399
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
methyl 4-amino-3-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 43380143
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
4-[(2-bromo-5-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 63404713
methyl 2-amino-6-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 107341847

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline (CID 65217353) is 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline is Cc1cc(OCc2cc(F)ccc2Br)c(C(C)C)cc1N.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline?
The InChIKey is CUSUPXVJHKTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-10(2)14-8-16(20)11(3)6-17(14)21-9-12-7-13(19)4-5-15(12)18/h4-8,10H,9,20H2,1-3H3.
What are the key properties of 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline?
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline has a molecular weight of 352.25 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline is sourced from PubChem (CID 65217353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).