4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline

C12H14BrCl2NO — CID 43591868

IUPAC4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCC1CCCCO1
InChIInChI=1S/C12H14BrCl2NO/c13-8-5-10(14)12(11(15)6-8)16-7-9-3-1-2-4-17-9/h5-6,9,16H,1-4,7H2
InChIKeyLZQBAGUOUAYPEN-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.74
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline

4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline (PubChem CID 43591868) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline
PubChem CID43591868
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC Name4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCC1CCCCO1
InChIInChI=1S/C12H14BrCl2NO/c13-8-5-10(14)12(11(15)6-8)16-7-9-3-1-2-4-17-9/h5-6,9,16H,1-4,7H2
InChIKeyLZQBAGUOUAYPEN-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
4-bromo-2-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406363
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
4-bromo-2,6-dichloro-N-[(5,5-dimethyloxolan-2-yl)methyl]aniline
CID 116521184
3-chloro-5-nitro-2-(oxan-2-ylmethylamino)benzoic acid
CID 107190460
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
3-bromo-5-(oxolan-2-ylmethylamino)benzoic acid
CID 102822430
1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 107167331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline (CID 43591868) is 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCC1CCCCO1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline?
The InChIKey is LZQBAGUOUAYPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c13-8-5-10(14)12(11(15)6-8)16-7-9-3-1-2-4-17-9/h5-6,9,16H,1-4,7H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline has a molecular weight of 339.06 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 43591868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).