5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol

C14H13BrClNO — CID 107699880

IUPAC5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2ccc(Br)cc2Cl)cc1O
InChIInChI=1S/C14H13BrClNO/c1-9-2-5-12(7-14(9)18)17-8-10-3-4-11(15)6-13(10)16/h2-7,17-18H,8H2,1H3
InChIKeyVYQJDSULNNQZQS-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.73
Rot. Bonds3

About 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol

5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol (PubChem CID 107699880) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
PubChem CID107699880
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2ccc(Br)cc2Cl)cc1O
InChIInChI=1S/C14H13BrClNO/c1-9-2-5-12(7-14(9)18)17-8-10-3-4-11(15)6-13(10)16/h2-7,17-18H,8H2,1H3
InChIKeyVYQJDSULNNQZQS-UHFFFAOYSA-N
XLogP4.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromo-2-nitrophenyl)methylamino]-2-methylphenol
CID 107700650
4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
CID 107678962
5-[(5-bromo-2-nitrophenyl)methylamino]-2-methylphenol
CID 107700878
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
4-bromo-3-chloro-N-[(2-chloro-4-methylphenyl)methyl]aniline
CID 107619896
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
CID 113470945
[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 115744065
5-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-2-methylphenol
CID 107700357
5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol
CID 107699715
2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
CID 107741199
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol?
The IUPAC name of 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol (CID 107699880) is 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol?
The canonical SMILES for 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol is Cc1ccc(NCc2ccc(Br)cc2Cl)cc1O.
What is the InChIKey of 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol?
The InChIKey is VYQJDSULNNQZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-2-5-12(7-14(9)18)17-8-10-3-4-11(15)6-13(10)16/h2-7,17-18H,8H2,1H3.
What are the key properties of 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol?
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol has a molecular weight of 326.62 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol is sourced from PubChem (CID 107699880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).