1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine

C13H15Cl2N — CID 115819724

IUPAC1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N/c1-3-5-6-13(16-4-2)11-8-7-10(14)9-12(11)15/h7-9,13,16H,4,6H2,1-2H3
InChIKeyWKOZVEUREIJFLN-UHFFFAOYSA-N
MW256.18 g/mol
LogP4.06
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine

1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine (PubChem CID 115819724) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
PubChem CID115819724
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC Name1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N/c1-3-5-6-13(16-4-2)11-8-7-10(14)9-12(11)15/h7-9,13,16H,4,6H2,1-2H3
InChIKeyWKOZVEUREIJFLN-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
CID 105008882
N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine
CID 115819786
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
CID 105112281
1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 114281159
N-[1-(2,4-dichlorophenyl)ethyl]pent-3-yn-1-amine
CID 104756778
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-(5-chloro-2-iodophenyl)-N-ethylhex-4-yn-1-amine
CID 114030253
1-(4-chloro-2,5-difluorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037119
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
CID 116955201
1-(5-chloro-2-methylphenyl)-N-ethylbut-3-yn-1-amine
CID 114977880

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine (CID 115819724) is 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine is CC#CCC(NCC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine?
The InChIKey is WKOZVEUREIJFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N/c1-3-5-6-13(16-4-2)11-8-7-10(14)9-12(11)15/h7-9,13,16H,4,6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine?
1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine has a molecular weight of 256.18 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine is sourced from PubChem (CID 115819724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).