N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine

C13H19Cl2N — CID 43104897

IUPACN-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-11(5-2)16-9(3)12-7-6-10(14)8-13(12)15/h6-9,11,16H,4-5H2,1-3H3
InChIKeyVLSAPEJSAYAWQS-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.83
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine

N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine (PubChem CID 43104897) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
PubChem CID43104897
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-11(5-2)16-9(3)12-7-6-10(14)8-13(12)15/h6-9,11,16H,4-5H2,1-3H3
InChIKeyVLSAPEJSAYAWQS-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-3-amine
CID 43756565
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
CID 103922444
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
N-[1-(2,4-dichlorophenyl)ethyl]hex-5-en-2-amine
CID 104655327
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine (CID 43104897) is N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine is CCC(CC)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
The InChIKey is VLSAPEJSAYAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-11(5-2)16-9(3)12-7-6-10(14)8-13(12)15/h6-9,11,16H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine has a molecular weight of 260.21 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine is sourced from PubChem (CID 43104897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).