2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol

C14H13Br2NO — CID 60960746

IUPAC2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
SMILESCc1ccc(Br)cc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H13Br2NO/c1-9-2-4-11(15)7-13(9)17-8-10-3-5-14(18)12(16)6-10/h2-7,17-18H,8H2,1H3
InChIKeyJBOFRWJQSDABSU-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.84
Rot. Bonds3

About 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol

2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol (PubChem CID 60960746) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
PubChem CID60960746
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
SMILESCc1ccc(Br)cc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H13Br2NO/c1-9-2-4-11(15)7-13(9)17-8-10-3-5-14(18)12(16)6-10/h2-7,17-18H,8H2,1H3
InChIKeyJBOFRWJQSDABSU-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

4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
4-[(5-bromo-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952954
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
CID 115212391
5-bromo-2-[(3-bromo-4-hydroxyphenyl)methylamino]benzonitrile
CID 82707996
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
2-[(5-bromo-2-methylanilino)methyl]-4-chlorophenol
CID 43729647
4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105401355
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol (CID 60960746) is 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol is Cc1ccc(Br)cc1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol?
The InChIKey is JBOFRWJQSDABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9-2-4-11(15)7-13(9)17-8-10-3-5-14(18)12(16)6-10/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol?
2-bromo-4-[(5-bromo-2-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-[(5-bromo-2-methylanilino)methyl]phenol is sourced from PubChem (CID 60960746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).