2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine

C11H14Cl2N2O — CID 106890339

IUPAC2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCC2CCOC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyVTQMITPIMRGECV-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.02
Rot. Bonds3

About 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine

2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine (PubChem CID 106890339) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
PubChem CID106890339
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCC2CCOC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyVTQMITPIMRGECV-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821
6-chloro-N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674565
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527
6-chloro-N-(oxolan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 43685909
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726263
6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 115474100
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
CID 43690243

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine (CID 106890339) is 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine is Nc1cc(Cl)c(NCC2CCOC2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is VTQMITPIMRGECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h3-4,7,15H,1-2,5-6,14H2.
What are the key properties of 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 261.15 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 106890339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).