4-bromo-2-[3-(dimethylamino)phenoxy]aniline

C14H15BrN2O — CID 65342268

IUPAC4-bromo-2-[3-(dimethylamino)phenoxy]aniline
SMILESCN(C)c1cccc(Oc2cc(Br)ccc2N)c1
InChIInChI=1S/C14H15BrN2O/c1-17(2)11-4-3-5-12(9-11)18-14-8-10(15)6-7-13(14)16/h3-9H,16H2,1-2H3
InChIKeyVPLKFHGLUNPOBR-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.89
Rot. Bonds3

About 4-bromo-2-[3-(dimethylamino)phenoxy]aniline

4-bromo-2-[3-(dimethylamino)phenoxy]aniline (PubChem CID 65342268) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-2-[3-(dimethylamino)phenoxy]aniline.

Molecular Properties

Compound Name4-bromo-2-[3-(dimethylamino)phenoxy]aniline
PubChem CID65342268
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-bromo-2-[3-(dimethylamino)phenoxy]aniline
SMILESCN(C)c1cccc(Oc2cc(Br)ccc2N)c1
InChIInChI=1S/C14H15BrN2O/c1-17(2)11-4-3-5-12(9-11)18-14-8-10(15)6-7-13(14)16/h3-9H,16H2,1-2H3
InChIKeyVPLKFHGLUNPOBR-UHFFFAOYSA-N
XLogP3.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
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

2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579
4-bromo-2-[3-(dimethylamino)phenoxy]benzoic acid
CID 61229870
4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
2-amino-3-[3-(dimethylamino)phenoxy]benzonitrile
CID 104717231
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696
2-(1,3-benzodioxol-5-yloxy)-4-bromoaniline
CID 65342101
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline
CID 58625415
2-bromo-4-[3-(dimethylamino)phenoxy]-3-fluorobenzenecarbothioamide
CID 107535648
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251021

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(dimethylamino)phenoxy]aniline?
The IUPAC name of 4-bromo-2-[3-(dimethylamino)phenoxy]aniline (CID 65342268) is 4-bromo-2-[3-(dimethylamino)phenoxy]aniline.
What is the SMILES notation for 4-bromo-2-[3-(dimethylamino)phenoxy]aniline?
The canonical SMILES for 4-bromo-2-[3-(dimethylamino)phenoxy]aniline is CN(C)c1cccc(Oc2cc(Br)ccc2N)c1.
What is the InChIKey of 4-bromo-2-[3-(dimethylamino)phenoxy]aniline?
The InChIKey is VPLKFHGLUNPOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17(2)11-4-3-5-12(9-11)18-14-8-10(15)6-7-13(14)16/h3-9H,16H2,1-2H3.
What are the key properties of 4-bromo-2-[3-(dimethylamino)phenoxy]aniline?
4-bromo-2-[3-(dimethylamino)phenoxy]aniline has a molecular weight of 307.19 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(dimethylamino)phenoxy]aniline is sourced from PubChem (CID 65342268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).