1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine

C13H19Cl2N — CID 105028050

IUPAC1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-9(4-2)7-13(16)11-6-5-10(14)8-12(11)15/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyPWNTZDWUMULUJW-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.82
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine

1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine (PubChem CID 105028050) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
PubChem CID105028050
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-9(4-2)7-13(16)11-6-5-10(14)8-12(11)15/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyPWNTZDWUMULUJW-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028229
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-(2-bromo-3,4-difluorophenyl)-3-ethylpentan-1-amine
CID 107538885
3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
CID 105028201

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine (CID 105028050) is 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine is CCC(CC)CC(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine?
The InChIKey is PWNTZDWUMULUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-9(4-2)7-13(16)11-6-5-10(14)8-12(11)15/h5-6,8-9,13H,3-4,7,16H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine?
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 105028050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).