N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine

C14H18FN — CID 62310597

IUPACN-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine
SMILESCC#CCC(Cc1ccccc1F)NCC
InChIInChI=1S/C14H18FN/c1-3-5-9-13(16-4-2)11-12-8-6-7-10-14(12)15/h6-8,10,13,16H,4,9,11H2,1-2H3
InChIKeyXGRJHGBLGBJSHG-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.76
Rot. Bonds5

About N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine

N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine (PubChem CID 62310597) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine
PubChem CID62310597
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine
SMILESCC#CCC(Cc1ccccc1F)NCC
InChIInChI=1S/C14H18FN/c1-3-5-9-13(16-4-2)11-12-8-6-7-10-14(12)15/h6-8,10,13,16H,4,9,11H2,1-2H3
InChIKeyXGRJHGBLGBJSHG-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.76
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-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-(2-methylphenyl)-N-propylhex-4-yn-2-amine
CID 62311593
N-ethyl-1-(2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024868
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine (CID 62310597) is N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine is CC#CCC(Cc1ccccc1F)NCC.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine?
The InChIKey is XGRJHGBLGBJSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-3-5-9-13(16-4-2)11-12-8-6-7-10-14(12)15/h6-8,10,13,16H,4,9,11H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine?
N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine has a molecular weight of 219.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine is sourced from PubChem (CID 62310597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).