3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine

C15H18FNO — CID 81326455

IUPAC3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(F)cc(OCC2CCCC2)c1
InChIInChI=1S/C15H18FNO/c16-14-8-13(6-3-7-17)9-15(10-14)18-11-12-4-1-2-5-12/h8-10,12H,1-2,4-5,7,11,17H2
InChIKeyCXCDETKBLSPHHJ-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.70
Rot. Bonds3

About 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine

3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine (PubChem CID 81326455) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
PubChem CID81326455
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(F)cc(OCC2CCCC2)c1
InChIInChI=1S/C15H18FNO/c16-14-8-13(6-3-7-17)9-15(10-14)18-11-12-4-1-2-5-12/h8-10,12H,1-2,4-5,7,11,17H2
InChIKeyCXCDETKBLSPHHJ-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326207
1-(4-chlorobut-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326215
3-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-yn-1-amine
CID 81325837
3-[3-(2,2-difluoroethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81326532
3-[3-fluoro-5-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-yn-1-amine
CID 81325676
3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760
3-[3-fluoro-5-(3-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81325530
3-[3-fluoro-5-(4-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81326142
3-[3-fluoro-5-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 81325452
4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenoxy]methyl]phenol
CID 81326535
3-[3-(2-ethoxyethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81325990
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine (CID 81326455) is 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine is NCC#Cc1cc(F)cc(OCC2CCCC2)c1.
What is the InChIKey of 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is CXCDETKBLSPHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-14-8-13(6-3-7-17)9-15(10-14)18-11-12-4-1-2-5-12/h8-10,12H,1-2,4-5,7,11,17H2.
What are the key properties of 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine?
3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 247.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 81326455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).