1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine

C16H21F2N — CID 104805793

IUPAC1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccc(F)cc1F)NCCC
InChIInChI=1S/C16H21F2N/c1-3-5-6-7-15(19-10-4-2)11-13-8-9-14(17)12-16(13)18/h8-9,12,15,19H,4,6-7,10-11H2,1-2H3
InChIKeyBEVSBWVIXMKIAR-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.68
Rot. Bonds7

About 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine

1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine (PubChem CID 104805793) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
PubChem CID104805793
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC Name1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccc(F)cc1F)NCCC
InChIInChI=1S/C16H21F2N/c1-3-5-6-7-15(19-10-4-2)11-13-8-9-14(17)12-16(13)18/h8-9,12,15,19H,4,6-7,10-11H2,1-2H3
InChIKeyBEVSBWVIXMKIAR-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.68
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-difluorophenyl)-N-propylpent-4-yn-2-amine
CID 64561596
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63033879
1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025007
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
CID 104805231
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257
1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
1-(3,4-difluorophenyl)-N-propylhex-4-yn-1-amine
CID 104804644
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine (CID 104805793) is 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine is CC#CCCC(Cc1ccc(F)cc1F)NCCC.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine?
The InChIKey is BEVSBWVIXMKIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-3-5-6-7-15(19-10-4-2)11-13-8-9-14(17)12-16(13)18/h8-9,12,15,19H,4,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine?
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine has a molecular weight of 265.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine is sourced from PubChem (CID 104805793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).