2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine

C14H14Cl2N2O — CID 106890198

IUPAC2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(N(Cc2ccco2)C2CC2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c15-12-6-9(17)7-13(16)14(12)18(10-3-4-10)8-11-2-1-5-19-11/h1-2,5-7,10H,3-4,8,17H2
InChIKeyWJVBZUCQTCIFIQ-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.34
Rot. Bonds4

About 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine

2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine (PubChem CID 106890198) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
PubChem CID106890198
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(N(Cc2ccco2)C2CC2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c15-12-6-9(17)7-13(16)14(12)18(10-3-4-10)8-11-2-1-5-19-11/h1-2,5-7,10H,3-4,8,17H2
InChIKeyWJVBZUCQTCIFIQ-UHFFFAOYSA-N
XLogP4.34
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 107195369
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
3-amino-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 115934626
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 63734970
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 63817438
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371
3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 55031150

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine (CID 106890198) is 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine is Nc1cc(Cl)c(N(Cc2ccco2)C2CC2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is WJVBZUCQTCIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-12-6-9(17)7-13(16)14(12)18(10-3-4-10)8-11-2-1-5-19-11/h1-2,5-7,10H,3-4,8,17H2.
What are the key properties of 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 297.19 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 106890198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).