4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline

C15H17BrN2O — CID 58625415

IUPAC4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline
SMILESCN(C)Cc1ccccc1Oc1cc(Br)ccc1N
InChIInChI=1S/C15H17BrN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-9-12(16)7-8-13(15)17/h3-9H,10,17H2,1-2H3
InChIKeyOKANASWCAQWOLI-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.89
Rot. Bonds4

About 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline

4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline (PubChem CID 58625415) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline.

Molecular Properties

Compound Name4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline
PubChem CID58625415
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline
SMILESCN(C)Cc1ccccc1Oc1cc(Br)ccc1N
InChIInChI=1S/C15H17BrN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-9-12(16)7-8-13(15)17/h3-9H,10,17H2,1-2H3
InChIKeyOKANASWCAQWOLI-UHFFFAOYSA-N
XLogP3.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.89
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

5-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline
CID 11301666
1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol
CID 67246950
2-[2-[(dimethylamino)methyl]phenoxy]-5-(2,2,3,3,3-pentafluoropropyl)aniline
CID 58625403
4-bromo-2-[3-(dimethylamino)phenoxy]aniline
CID 65342268
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
CID 43365212
4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
CID 65342646
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline?
The IUPAC name of 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline (CID 58625415) is 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline.
What is the SMILES notation for 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline?
The canonical SMILES for 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline is CN(C)Cc1ccccc1Oc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline?
The InChIKey is OKANASWCAQWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-9-12(16)7-8-13(15)17/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline?
4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline has a molecular weight of 321.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline is sourced from PubChem (CID 58625415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).