2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine

C13H16Cl2N2 — CID 114095331

IUPAC2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCC2(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2/c14-10-5-9(16)6-11(15)12(10)17-7-13(3-4-13)8-1-2-8/h5-6,8,17H,1-4,7,16H2
InChIKeyQYWJDBKAVZLVHG-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.18
Rot. Bonds4

About 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine

2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine (PubChem CID 114095331) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
PubChem CID114095331
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCC2(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2/c14-10-5-9(16)6-11(15)12(10)17-7-13(3-4-13)8-1-2-8/h5-6,8,17H,1-4,7,16H2
InChIKeyQYWJDBKAVZLVHG-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.18
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

5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine
CID 106890863
2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine
CID 106890529
3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261
2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine
CID 106890784
2,6-dichloro-1-N-(2-cyclopropylpropyl)benzene-1,4-diamine
CID 106890779
5-amino-2-[(1-cyclopropylcyclopropyl)methylamino]benzonitrile
CID 114095326
2,6-dichloro-1-N-(thian-2-ylmethyl)benzene-1,4-diamine
CID 106890621
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
methyl 5-amino-3-chloro-2-[(1-methylcyclopropyl)methylamino]benzoate
CID 114101734

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine (CID 114095331) is 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine is Nc1cc(Cl)c(NCC2(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine?
The InChIKey is QYWJDBKAVZLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c14-10-5-9(16)6-11(15)12(10)17-7-13(3-4-13)8-1-2-8/h5-6,8,17H,1-4,7,16H2.
What are the key properties of 2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine has a molecular weight of 271.19 g/mol, XLogP of 4.18, 4 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-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 114095331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).