2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine

C14H18Cl2N2 — CID 106890529

IUPAC2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCC(C2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c15-12-5-10(17)6-13(16)14(12)18-7-11(8-1-2-8)9-3-4-9/h5-6,8-9,11,18H,1-4,7,17H2
InChIKeyNGXXMLQKNNESNP-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.42
Rot. Bonds5

About 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine

2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine (PubChem CID 106890529) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine
PubChem CID106890529
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCC(C2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c15-12-5-10(17)6-13(16)14(12)18-7-11(8-1-2-8)9-3-4-9/h5-6,8-9,11,18H,1-4,7,17H2
InChIKeyNGXXMLQKNNESNP-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1-N-(2-cyclopropylpropyl)benzene-1,4-diamine
CID 106890779
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine
CID 106890784
2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
CID 114095331
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
2,6-dichloro-1-N-(thian-2-ylmethyl)benzene-1,4-diamine
CID 106890621
2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
CID 104924180
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941585
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
1-N-(2,2-dicyclopropylethyl)-3,5-difluorobenzene-1,2-diamine
CID 113325330

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine (CID 106890529) is 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine is Nc1cc(Cl)c(NCC(C2CC2)C2CC2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine?
The InChIKey is NGXXMLQKNNESNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c15-12-5-10(17)6-13(16)14(12)18-7-11(8-1-2-8)9-3-4-9/h5-6,8-9,11,18H,1-4,7,17H2.
What are the key properties of 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine has a molecular weight of 285.22 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine is sourced from PubChem (CID 106890529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).