1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine

C15H19ClFN — CID 63033879

IUPAC1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccc(F)cc1Cl)NCCC
InChIInChI=1S/C15H19ClFN/c1-3-5-6-14(18-9-4-2)10-12-7-8-13(17)11-15(12)16/h7-8,11,14,18H,4,6,9-10H2,1-2H3
InChIKeyMPFMDSODXWFFSH-UHFFFAOYSA-N
MW267.77 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine

1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine (PubChem CID 63033879) has the molecular formula C15H19ClFN and a molecular weight of 267.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
PubChem CID63033879
Molecular FormulaC15H19ClFN
Molecular Weight267.77 g/mol
Exact Mass267.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccc(F)cc1Cl)NCCC
InChIInChI=1S/C15H19ClFN/c1-3-5-6-14(18-9-4-2)10-12-7-8-13(17)11-15(12)16/h7-8,11,14,18H,4,6,9-10H2,1-2H3
InChIKeyMPFMDSODXWFFSH-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
CID 62309590
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474615
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025074
1-(2-chloro-4-fluorophenyl)hex-4-yn-2-ol
CID 63035454
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793
1-(2-methylphenyl)-N-propylhex-4-yn-2-amine
CID 62311593
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine
CID 64561596
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine (CID 63033879) is 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine is CC#CCC(Cc1ccc(F)cc1Cl)NCCC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine?
The InChIKey is MPFMDSODXWFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN/c1-3-5-6-14(18-9-4-2)10-12-7-8-13(17)11-15(12)16/h7-8,11,14,18H,4,6,9-10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine?
1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine has a molecular weight of 267.77 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine is sourced from PubChem (CID 63033879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).