2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline

C13H18Cl2N2O — CID 82841408

IUPAC2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline
SMILESCC1(CNCc2cc(Cl)c(N)c(Cl)c2)CCCO1
InChIInChI=1S/C13H18Cl2N2O/c1-13(3-2-4-18-13)8-17-7-9-5-10(14)12(16)11(15)6-9/h5-6,17H,2-4,7-8,16H2,1H3
InChIKeyZLBDZBNWKREBKG-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.23
Rot. Bonds4

About 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline

2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline (PubChem CID 82841408) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline
PubChem CID82841408
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline
SMILESCC1(CNCc2cc(Cl)c(N)c(Cl)c2)CCCO1
InChIInChI=1S/C13H18Cl2N2O/c1-13(3-2-4-18-13)8-17-7-9-5-10(14)12(16)11(15)6-9/h5-6,17H,2-4,7-8,16H2,1H3
InChIKeyZLBDZBNWKREBKG-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]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

4-chloro-3-fluoro-2-N-[(2-methyloxolan-2-yl)methyl]benzene-1,2-diamine
CID 114271133
[1-[[(2-methyloxolan-2-yl)methylamino]methyl]cycloheptyl]methanamine
CID 115445038
1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 82704699
1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 114268605
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 107911749
N-[(2-methyloxolan-2-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 119160323
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111
5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918997
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025
3-bromo-4-chloro-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
CID 106546478

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline (CID 82841408) is 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline is CC1(CNCc2cc(Cl)c(N)c(Cl)c2)CCCO1.
What is the InChIKey of 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline?
The InChIKey is ZLBDZBNWKREBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-13(3-2-4-18-13)8-17-7-9-5-10(14)12(16)11(15)6-9/h5-6,17H,2-4,7-8,16H2,1H3.
What are the key properties of 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline?
2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline has a molecular weight of 289.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline is sourced from PubChem (CID 82841408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).