2-[3-(aminomethyl)-4-bromophenyl]phenol

C13H12BrNO — CID 115051252

IUPAC2-[3-(aminomethyl)-4-bromophenyl]phenol
SMILESNCc1cc(-c2ccccc2O)ccc1Br
InChIInChI=1S/C13H12BrNO/c14-12-6-5-9(7-10(12)8-15)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2
InChIKeyABZFSJWXQGFHRF-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.28
Rot. Bonds2

About 2-[3-(aminomethyl)-4-bromophenyl]phenol

2-[3-(aminomethyl)-4-bromophenyl]phenol (PubChem CID 115051252) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-bromophenyl]phenol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-bromophenyl]phenol
PubChem CID115051252
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-[3-(aminomethyl)-4-bromophenyl]phenol
SMILESNCc1cc(-c2ccccc2O)ccc1Br
InChIInChI=1S/C13H12BrNO/c14-12-6-5-9(7-10(12)8-15)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2
InChIKeyABZFSJWXQGFHRF-UHFFFAOYSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)-4-chlorophenyl]phenol
CID 115039900
2-(3-amino-4-bromophenyl)phenol
CID 115049178
2-[3-(2-aminoethyl)-4-methylphenyl]phenol
CID 115036227
[2-bromo-5-(3-methylphenyl)phenyl]methanamine
CID 115051058
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-bromo-5-(2-chlorophenyl)phenol
CID 171383319
4-amino-2-[2-(aminomethyl)phenyl]phenol
CID 22706655
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
2-(aminomethyl)phenol;methane
CID 158060419
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-bromophenyl]phenol?
The IUPAC name of 2-[3-(aminomethyl)-4-bromophenyl]phenol (CID 115051252) is 2-[3-(aminomethyl)-4-bromophenyl]phenol.
What is the SMILES notation for 2-[3-(aminomethyl)-4-bromophenyl]phenol?
The canonical SMILES for 2-[3-(aminomethyl)-4-bromophenyl]phenol is NCc1cc(-c2ccccc2O)ccc1Br.
What is the InChIKey of 2-[3-(aminomethyl)-4-bromophenyl]phenol?
The InChIKey is ABZFSJWXQGFHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-12-6-5-9(7-10(12)8-15)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2.
What are the key properties of 2-[3-(aminomethyl)-4-bromophenyl]phenol?
2-[3-(aminomethyl)-4-bromophenyl]phenol has a molecular weight of 278.15 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-bromophenyl]phenol is sourced from PubChem (CID 115051252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).