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

C14H14BrNO — CID 4863427

IUPAC4-bromo-2-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-5-13(6-3-10)16-9-11-8-12(15)4-7-14(11)17/h2-8,16-17H,9H2,1H3
InChIKeyBEBHKMBSPJHZCO-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.08
Rot. Bonds3

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

4-bromo-2-[(4-methylanilino)methyl]phenol (PubChem CID 4863427) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-bromo-2-[(4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-methylanilino)methyl]phenol
PubChem CID4863427
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name4-bromo-2-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-5-13(6-3-10)16-9-11-8-12(15)4-7-14(11)17/h2-8,16-17H,9H2,1H3
InChIKeyBEBHKMBSPJHZCO-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-methylanilino)methyl]phenol?
The IUPAC name of 4-bromo-2-[(4-methylanilino)methyl]phenol (CID 4863427) is 4-bromo-2-[(4-methylanilino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-methylanilino)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-methylanilino)methyl]phenol is Cc1ccc(NCc2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-bromo-2-[(4-methylanilino)methyl]phenol?
The InChIKey is BEBHKMBSPJHZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-2-5-13(6-3-10)16-9-11-8-12(15)4-7-14(11)17/h2-8,16-17H,9H2,1H3.
What are the key properties of 4-bromo-2-[(4-methylanilino)methyl]phenol?
4-bromo-2-[(4-methylanilino)methyl]phenol has a molecular weight of 292.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-methylanilino)methyl]phenol is sourced from PubChem (CID 4863427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).