N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine

C13H16FN — CID 104806276

IUPACN-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNCCc1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-2-3-4-9-15-10-8-12-6-5-7-13(14)11-12/h5-7,11,15H,4,8-10H2,1H3
InChIKeyOTGTYEKPJFSHHQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine

N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine (PubChem CID 104806276) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
PubChem CID104806276
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNCCc1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-2-3-4-9-15-10-8-12-6-5-7-13(14)11-12/h5-7,11,15H,4,8-10H2,1H3
InChIKeyOTGTYEKPJFSHHQ-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
3-fluoro-N-pent-3-ynylaniline
CID 104744056
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
3-(3-fluorophenyl)-2-methyl-2-N-pent-3-ynylpropane-1,2-diamine
CID 114831761
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
N-(3-phenylpropyl)pent-3-yn-1-amine
CID 104806351
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
3,3-diethoxy-N-[2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81093421
4-[2-(3-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 115220897
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine (CID 104806276) is N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine is CC#CCCNCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine?
The InChIKey is OTGTYEKPJFSHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-2-3-4-9-15-10-8-12-6-5-7-13(14)11-12/h5-7,11,15H,4,8-10H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine?
N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine is sourced from PubChem (CID 104806276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).