4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline

C15H16BrNO — CID 55158064

IUPAC4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
SMILESCc1cc(OCc2ccccc2Br)c(C)cc1N
InChIInChI=1S/C15H16BrNO/c1-10-8-15(11(2)7-14(10)17)18-9-12-5-3-4-6-13(12)16/h3-8H,9,17H2,1-2H3
InChIKeyQUZSZYYWJKUMRX-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.23
Rot. Bonds3

About 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline

4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline (PubChem CID 55158064) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
PubChem CID55158064
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
SMILESCc1cc(OCc2ccccc2Br)c(C)cc1N
InChIInChI=1S/C15H16BrNO/c1-10-8-15(11(2)7-14(10)17)18-9-12-5-3-4-6-13(12)16/h3-8H,9,17H2,1-2H3
InChIKeyQUZSZYYWJKUMRX-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.23
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

3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747
6-[(2-bromophenyl)methoxy]-5-methylpyridin-3-amine
CID 82827886
4-[(2-bromophenyl)methoxy]pyridin-3-amine
CID 82828460
3-bromo-8-[(2-bromophenyl)methoxy]quinolin-5-amine
CID 106949907
2-[(4-amino-5-methyl-2-propan-2-ylphenoxy)methyl]benzonitrile
CID 65217468
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline (CID 55158064) is 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline is Cc1cc(OCc2ccccc2Br)c(C)cc1N.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline?
The InChIKey is QUZSZYYWJKUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-8-15(11(2)7-14(10)17)18-9-12-5-3-4-6-13(12)16/h3-8H,9,17H2,1-2H3.
What are the key properties of 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline?
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline is sourced from PubChem (CID 55158064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).