1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C14H22Cl2N2 — CID 63980732

IUPAC1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H22Cl2N2/c1-5-14(2,3)18(4)12(9-17)13-10(15)7-6-8-11(13)16/h6-8,12H,5,9,17H2,1-4H3
InChIKeyTUVKYBPOKWOACZ-UHFFFAOYSA-N
MW289.25 g/mol
LogP4.11
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 63980732) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID63980732
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H22Cl2N2/c1-5-14(2,3)18(4)12(9-17)13-10(15)7-6-8-11(13)16/h6-8,12H,5,9,17H2,1-4H3
InChIKeyTUVKYBPOKWOACZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 63465958
1-(2,5-difluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981615
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63982460
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983745
1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 70620732
N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine
CID 82042176
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438741

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 63980732) is 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is TUVKYBPOKWOACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-5-14(2,3)18(4)12(9-17)13-10(15)7-6-8-11(13)16/h6-8,12H,5,9,17H2,1-4H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 289.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63980732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).