4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline

C16H18BrNO2 — CID 83002347

IUPAC4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(OCc2ccccc2Br)ccc1N
InChIInChI=1S/C16H18BrNO2/c1-11(2)20-16-9-13(7-8-15(16)18)19-10-12-5-3-4-6-14(12)17/h3-9,11H,10,18H2,1-2H3
InChIKeyNMQNRBTULPQJFY-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.40
Rot. Bonds5

About 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline

4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline (PubChem CID 83002347) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline
PubChem CID83002347
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(OCc2ccccc2Br)ccc1N
InChIInChI=1S/C16H18BrNO2/c1-11(2)20-16-9-13(7-8-15(16)18)19-10-12-5-3-4-6-14(12)17/h3-9,11H,10,18H2,1-2H3
InChIKeyNMQNRBTULPQJFY-UHFFFAOYSA-N
XLogP4.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
2-[2-amino-5-[(2-bromophenyl)methoxy]phenyl]acetonitrile
CID 102624987
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
CID 104560013
5-[(2-bromophenyl)methoxy]-2-nitroaniline
CID 106752101
4-bromo-2-propan-2-yloxyaniline
CID 50998232
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene
CID 101431014
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline (CID 83002347) is 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline is CC(C)Oc1cc(OCc2ccccc2Br)ccc1N.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline?
The InChIKey is NMQNRBTULPQJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(2)20-16-9-13(7-8-15(16)18)19-10-12-5-3-4-6-14(12)17/h3-9,11H,10,18H2,1-2H3.
What are the key properties of 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline?
4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline has a molecular weight of 336.23 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).