2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol

C14H13Br2NO — CID 60962378

IUPAC2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
SMILESCc1cc(NCc2ccc(O)c(Br)c2)ccc1Br
InChIInChI=1S/C14H13Br2NO/c1-9-6-11(3-4-12(9)15)17-8-10-2-5-14(18)13(16)7-10/h2-7,17-18H,8H2,1H3
InChIKeyQXRLVJNITJIWLI-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.84
Rot. Bonds3

About 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol

2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol (PubChem CID 60962378) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
PubChem CID60962378
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
SMILESCc1cc(NCc2ccc(O)c(Br)c2)ccc1Br
InChIInChI=1S/C14H13Br2NO/c1-9-6-11(3-4-12(9)15)17-8-10-2-5-14(18)13(16)7-10/h2-7,17-18H,8H2,1H3
InChIKeyQXRLVJNITJIWLI-UHFFFAOYSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2,6-dibromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 107740455
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251
2-bromo-4-[(3-methyl-4-nitroanilino)methyl]phenol
CID 63047287
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
CID 993814
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
4-[(3-bromo-4-hydroxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788143
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
2-bromo-4-[(3-chloro-4-propan-2-yloxyanilino)methyl]phenol
CID 60981482
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol (CID 60962378) is 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol is Cc1cc(NCc2ccc(O)c(Br)c2)ccc1Br.
What is the InChIKey of 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol?
The InChIKey is QXRLVJNITJIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9-6-11(3-4-12(9)15)17-8-10-2-5-14(18)13(16)7-10/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol?
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol has a molecular weight of 371.07 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol is sourced from PubChem (CID 60962378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).