2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol

C14H13BrClNO2 — CID 107621009

IUPAC2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
SMILESCOc1cc(NCc2ccc(O)c(Br)c2)ccc1Cl
InChIInChI=1S/C14H13BrClNO2/c1-19-14-7-10(3-4-12(14)16)17-8-9-2-5-13(18)11(15)6-9/h2-7,17-18H,8H2,1H3
InChIKeyMBUFXZUVMXUNGD-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.43
Rot. Bonds4

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

2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol (PubChem CID 107621009) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
PubChem CID107621009
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
SMILESCOc1cc(NCc2ccc(O)c(Br)c2)ccc1Cl
InChIInChI=1S/C14H13BrClNO2/c1-19-14-7-10(3-4-12(14)16)17-8-9-2-5-13(18)11(15)6-9/h2-7,17-18H,8H2,1H3
InChIKeyMBUFXZUVMXUNGD-UHFFFAOYSA-N
XLogP4.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
2-bromo-4-[(3-chloro-4-propan-2-yloxyanilino)methyl]phenol
CID 60981482
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
CID 107678911
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol (CID 107621009) is 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol is COc1cc(NCc2ccc(O)c(Br)c2)ccc1Cl.
What is the InChIKey of 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol?
The InChIKey is MBUFXZUVMXUNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-19-14-7-10(3-4-12(14)16)17-8-9-2-5-13(18)11(15)6-9/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol?
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol has a molecular weight of 342.62 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol is sourced from PubChem (CID 107621009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).