1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine

C15H19Cl2N — CID 62309590

IUPAC1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccc(Cl)cc1Cl)NCCC
InChIInChI=1S/C15H19Cl2N/c1-3-5-6-14(18-9-4-2)10-12-7-8-13(16)11-15(12)17/h7-8,11,14,18H,4,6,9-10H2,1-2H3
InChIKeyMGYOJGPWERVPOI-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.32
Rot. Bonds6

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

1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine (PubChem CID 62309590) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
PubChem CID62309590
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccc(Cl)cc1Cl)NCCC
InChIInChI=1S/C15H19Cl2N/c1-3-5-6-14(18-9-4-2)10-12-7-8-13(16)11-15(12)17/h7-8,11,14,18H,4,6,9-10H2,1-2H3
InChIKeyMGYOJGPWERVPOI-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.32
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-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63033879
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(2-methylphenyl)-N-propylhex-4-yn-2-amine
CID 62311593
1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
CID 104804732
1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824912
N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115840283
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239
2-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83138820
N-[(2,4-dichlorophenyl)methyl]pent-3-yn-1-amine
CID 115978431
1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819724
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine (CID 62309590) is 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine is CC#CCC(Cc1ccc(Cl)cc1Cl)NCCC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine?
The InChIKey is MGYOJGPWERVPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-3-5-6-14(18-9-4-2)10-12-7-8-13(16)11-15(12)17/h7-8,11,14,18H,4,6,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine?
1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine has a molecular weight of 284.23 g/mol, XLogP of 4.32, 6 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-propylhex-4-yn-2-amine is sourced from PubChem (CID 62309590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).