2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol

C16H17Br2NO — CID 107740282

IUPAC2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol
SMILESCc1ccc(N(C)Cc2cc(Br)c(O)c(Br)c2)c(C)c1
InChIInChI=1S/C16H17Br2NO/c1-10-4-5-15(11(2)6-10)19(3)9-12-7-13(17)16(20)14(18)8-12/h4-8,20H,9H2,1-3H3
InChIKeyAOXIPKNVPXHOIK-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.17
Rot. Bonds3

About 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol

2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol (PubChem CID 107740282) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol
PubChem CID107740282
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol
SMILESCc1ccc(N(C)Cc2cc(Br)c(O)c(Br)c2)c(C)c1
InChIInChI=1S/C16H17Br2NO/c1-10-4-5-15(11(2)6-10)19(3)9-12-7-13(17)16(20)14(18)8-12/h4-8,20H,9H2,1-3H3
InChIKeyAOXIPKNVPXHOIK-UHFFFAOYSA-N
XLogP5.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(N,2,4-trimethylanilino)methyl]phenol
CID 82972802
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
CID 63458833
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
1-bromo-3-(N,2,4-trimethylanilino)propan-2-ol
CID 112561545
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
2-methyl-4-(N,2,4-trimethylanilino)but-2-enoic acid
CID 77074142
N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
CID 62001809
2-methoxy-5-[(N,2,4-trimethylanilino)methyl]benzonitrile
CID 65343788
6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
CID 65348285
2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221380
2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline
CID 114054593

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol (CID 107740282) is 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol is Cc1ccc(N(C)Cc2cc(Br)c(O)c(Br)c2)c(C)c1.
What is the InChIKey of 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol?
The InChIKey is AOXIPKNVPXHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-4-5-15(11(2)6-10)19(3)9-12-7-13(17)16(20)14(18)8-12/h4-8,20H,9H2,1-3H3.
What are the key properties of 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol?
2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol has a molecular weight of 399.13 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol is sourced from PubChem (CID 107740282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).