N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine

C11H11F2N — CID 114415538

IUPACN-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine
SMILESC#CC(C)NCc1c(F)cccc1F
InChIInChI=1S/C11H11F2N/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h1,4-6,8,14H,7H2,2H3
InChIKeyXJEVHFDRNCUXLV-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.08
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine

N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine (PubChem CID 114415538) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine
PubChem CID114415538
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC NameN-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine
SMILESC#CC(C)NCc1c(F)cccc1F
InChIInChI=1S/C11H11F2N/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h1,4-6,8,14H,7H2,2H3
InChIKeyXJEVHFDRNCUXLV-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.08
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

N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
CID 114390036
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
4-chloro-N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 114934206
(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine
CID 130694258

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine (CID 114415538) is N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine is C#CC(C)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine?
The InChIKey is XJEVHFDRNCUXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h1,4-6,8,14H,7H2,2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine?
N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine has a molecular weight of 195.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine is sourced from PubChem (CID 114415538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).