1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine

C14H18FNO — CID 107700673

IUPAC1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
SMILESCC#CCCOc1ccc(F)cc1CC(C)N
InChIInChI=1S/C14H18FNO/c1-3-4-5-8-17-14-7-6-13(15)10-12(14)9-11(2)16/h6-7,10-11H,5,8-9,16H2,1-2H3
InChIKeyOTOIVMKCUBNFLY-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.51
Rot. Bonds5

About 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine

1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine (PubChem CID 107700673) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
PubChem CID107700673
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
SMILESCC#CCCOc1ccc(F)cc1CC(C)N
InChIInChI=1S/C14H18FNO/c1-3-4-5-8-17-14-7-6-13(15)10-12(14)9-11(2)16/h6-7,10-11H,5,8-9,16H2,1-2H3
InChIKeyOTOIVMKCUBNFLY-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 107700851
1-[5-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 107700941
(1S)-1-(4-fluoro-2-pent-3-ynoxyphenyl)ethanol
CID 104808272
4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
CID 83944195
1-(5-bromo-2-pent-3-ynoxyphenyl)butan-2-amine
CID 104807733
1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
1-(5-chloro-3-methoxy-2-pent-3-ynoxyphenyl)propan-2-amine
CID 104808085
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
5-fluoro-2-pent-3-ynoxybenzoic acid
CID 104804139
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine (CID 107700673) is 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine is CC#CCCOc1ccc(F)cc1CC(C)N.
What is the InChIKey of 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine?
The InChIKey is OTOIVMKCUBNFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-4-5-8-17-14-7-6-13(15)10-12(14)9-11(2)16/h6-7,10-11H,5,8-9,16H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine?
1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine has a molecular weight of 235.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine is sourced from PubChem (CID 107700673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).