2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol

C14H12Br2ClNO — CID 107740487

IUPAC2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
SMILESCc1cc(Cl)ccc1NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H12Br2ClNO/c1-8-4-10(17)2-3-13(8)18-7-9-5-11(15)14(19)12(16)6-9/h2-6,18-19H,7H2,1H3
InChIKeyFNVAMERQGKDKLL-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.49
Rot. Bonds3

About 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol

2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol (PubChem CID 107740487) has the molecular formula C14H12Br2ClNO and a molecular weight of 405.52 g/mol. Its IUPAC name is 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
PubChem CID107740487
Molecular FormulaC14H12Br2ClNO
Molecular Weight405.52 g/mol
Exact Mass402.90
IUPAC Name2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
SMILESCc1cc(Cl)ccc1NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H12Br2ClNO/c1-8-4-10(17)2-3-13(8)18-7-9-5-11(15)14(19)12(16)6-9/h2-6,18-19H,7H2,1H3
InChIKeyFNVAMERQGKDKLL-UHFFFAOYSA-N
XLogP5.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-chloro-2-methylaniline
CID 102830756
2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol
CID 107740442
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
2,6-dibromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 107740455
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol (CID 107740487) is 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol is Cc1cc(Cl)ccc1NCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol?
The InChIKey is FNVAMERQGKDKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO/c1-8-4-10(17)2-3-13(8)18-7-9-5-11(15)14(19)12(16)6-9/h2-6,18-19H,7H2,1H3.
What are the key properties of 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol?
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol has a molecular weight of 405.52 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol is sourced from PubChem (CID 107740487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).