3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol

C14H15BrN2O — CID 107733874

IUPAC3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol
SMILESCN(Cc1ccc(Br)cc1N)c1cccc(O)c1
InChIInChI=1S/C14H15BrN2O/c1-17(12-3-2-4-13(18)8-12)9-10-5-6-11(15)7-14(10)16/h2-8,18H,9,16H2,1H3
InChIKeyGUSJNBXMPIFHLF-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.37
Rot. Bonds3

About 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol

3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol (PubChem CID 107733874) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol.

Molecular Properties

Compound Name3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol
PubChem CID107733874
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol
SMILESCN(Cc1ccc(Br)cc1N)c1cccc(O)c1
InChIInChI=1S/C14H15BrN2O/c1-17(12-3-2-4-13(18)8-12)9-10-5-6-11(15)7-14(10)16/h2-8,18H,9,16H2,1H3
InChIKeyGUSJNBXMPIFHLF-UHFFFAOYSA-N
XLogP3.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol
CID 107733829
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
CID 114380401
3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol
CID 107733721
5-chloro-2-[(N-methylanilino)methyl]aniline
CID 62100206
5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 79712299
3-bromo-4-[(N,3-dimethylanilino)methyl]aniline
CID 62003155
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735949
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
5-bromo-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 79712993

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol?
The IUPAC name of 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol (CID 107733874) is 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol.
What is the SMILES notation for 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol?
The canonical SMILES for 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol is CN(Cc1ccc(Br)cc1N)c1cccc(O)c1.
What is the InChIKey of 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol?
The InChIKey is GUSJNBXMPIFHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17(12-3-2-4-13(18)8-12)9-10-5-6-11(15)7-14(10)16/h2-8,18H,9,16H2,1H3.
What are the key properties of 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol?
3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol has a molecular weight of 307.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-bromophenyl)methyl-methylamino]phenol is sourced from PubChem (CID 107733874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).