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

C12H16Cl2N2 — CID 106890784

IUPAC2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2/c13-10-6-9(15)7-11(14)12(10)16-5-4-8-2-1-3-8/h6-8,16H,1-5,15H2
InChIKeyHBUADPXLSYKYRG-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.18
Rot. Bonds4

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

2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine (PubChem CID 106890784) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine
PubChem CID106890784
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NCCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2/c13-10-6-9(15)7-11(14)12(10)16-5-4-8-2-1-3-8/h6-8,16H,1-5,15H2
InChIKeyHBUADPXLSYKYRG-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
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

3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
2-chloro-1-N,1-N-bis(2-chloroethyl)benzene-1,4-diamine
CID 10778263
1,4-Benzenediamine, 2-chloro-N1,N1-diethyl-, hydrochloride (1:?)
CID 112739
(3,5-Dichloro-phenyl)-isopropyl-amine
CID 2758170
1-N-benzyl-2-chlorobenzene-1,4-diamine
CID 18543159
2-chloro-N1-methylbenzene-1,4-diamine
CID 19048352
2,4-dichloro-N-ethylaniline hydrochloride
CID 68627905
3,5-dichloro-N-cyclopropylaniline
CID 82539878
N-(3,5-dichlorophenyl)azetidin-3-amine
CID 65959069
1,4-Benzenediamine, 2-chloro-N1,N1-diethyl-
CID 109674
1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-, hydrochloride (1:1)
CID 21156022
C8H10Cl2N2
CID 13790519

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine (CID 106890784) is 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine is Nc1cc(Cl)c(NCCC2CCC2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine?
The InChIKey is HBUADPXLSYKYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-10-6-9(15)7-11(14)12(10)16-5-4-8-2-1-3-8/h6-8,16H,1-5,15H2.
What are the key properties of 2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine has a molecular weight of 259.18 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-(2-cyclobutylethyl)benzene-1,4-diamine is sourced from PubChem (CID 106890784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).