1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine

C13H19Cl2N — CID 105013912

IUPAC1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-9(5-2)13(16-3)12-10(14)7-6-8-11(12)15/h6-9,13,16H,4-5H2,1-3H3
InChIKeyRMUYFRFXWCHZEN-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine

1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 105013912) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID105013912
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-9(5-2)13(16-3)12-10(14)7-6-8-11(12)15/h6-9,13,16H,4-5H2,1-3H3
InChIKeyRMUYFRFXWCHZEN-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
CID 61000700
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978392
2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015
N,N'-dibutyl-1,2-bis(2,6-dichlorophenyl)ethane-1,2-diamine;dihydrochloride
CID 45264163
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250
1-(5-bromo-4-chlorothiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 80530973
2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile
CID 61023871
1-(2,6-dichlorophenyl)-N-prop-2-ynylpropan-1-amine
CID 115707001
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine (CID 105013912) is 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is RMUYFRFXWCHZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-9(5-2)13(16-3)12-10(14)7-6-8-11(12)15/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine?
1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 105013912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).