1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine

C17H28Cl2N2 — CID 79058545

IUPAC1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H28Cl2N2/c1-6-17(5,21(8-3)9-4)16(20-7-2)14-12-13(18)10-11-15(14)19/h10-12,16,20H,6-9H2,1-5H3
InChIKeyUSLJGNRJJYRSPT-UHFFFAOYSA-N
MW331.33 g/mol
LogP5.15
Rot. Bonds8

About 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine

1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine (PubChem CID 79058545) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
PubChem CID79058545
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC Name1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H28Cl2N2/c1-6-17(5,21(8-3)9-4)16(20-7-2)14-12-13(18)10-11-15(14)19/h10-12,16,20H,6-9H2,1-5H3
InChIKeyUSLJGNRJJYRSPT-UHFFFAOYSA-N
XLogP5.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 55261862
1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 79989059
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869
1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
CID 79069153
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79062523
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
1-(5-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 103053634

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine (CID 79058545) is 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine is CCNC(c1cc(Cl)ccc1Cl)C(C)(CC)N(CC)CC.
What is the InChIKey of 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The InChIKey is USLJGNRJJYRSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2N2/c1-6-17(5,21(8-3)9-4)16(20-7-2)14-12-13(18)10-11-15(14)19/h10-12,16,20H,6-9H2,1-5H3.
What are the key properties of 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine has a molecular weight of 331.33 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79058545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).