3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine

C14H18FNO2 — CID 106455515

IUPAC3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
SMILESCCCOCCOc1cc(F)ccc1C#CCN
InChIInChI=1S/C14H18FNO2/c1-2-8-17-9-10-18-14-11-13(15)6-5-12(14)4-3-7-16/h5-6,11H,2,7-10,16H2,1H3
InChIKeyHGMMRRJYCADQHD-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.94
Rot. Bonds6

About 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine

3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine (PubChem CID 106455515) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
PubChem CID106455515
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
SMILESCCCOCCOc1cc(F)ccc1C#CCN
InChIInChI=1S/C14H18FNO2/c1-2-8-17-9-10-18-14-11-13(15)6-5-12(14)4-3-7-16/h5-6,11H,2,7-10,16H2,1H3
InChIKeyHGMMRRJYCADQHD-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
5-fluoro-2-(2-propoxyethoxy)benzonitrile
CID 63684547
3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 65181168
3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine
CID 63684755
3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 103181830
2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696798
3-[2-(3,3-dimethylbutoxymethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 66226956
3-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 83134968
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
1-(4-chlorobut-1-ynyl)-4-fluoro-2-(4-methylpentoxy)benzene
CID 83161823
3-[5-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493810

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine (CID 106455515) is 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine is CCCOCCOc1cc(F)ccc1C#CCN.
What is the InChIKey of 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine?
The InChIKey is HGMMRRJYCADQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-8-17-9-10-18-14-11-13(15)6-5-12(14)4-3-7-16/h5-6,11H,2,7-10,16H2,1H3.
What are the key properties of 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine?
3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 106455515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).