1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine

C13H19Cl2N — CID 43492979

IUPAC1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-16-13(7-9(2)3)11-8-10(14)5-6-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyNZNISIPXICALJL-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine

1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 43492979) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
PubChem CID43492979
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-16-13(7-9(2)3)11-8-10(14)5-6-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyNZNISIPXICALJL-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

1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 55261862
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
[1-(2,5-dichlorophenyl)-4-methylpentyl]hydrazine
CID 105207581
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
CID 114027172
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
CID 66065312

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine (CID 43492979) is 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is NZNISIPXICALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-16-13(7-9(2)3)11-8-10(14)5-6-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
1-(2,5-dichlorophenyl)-N-ethyl-3-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-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 43492979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).