3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine

C16H14FNO — CID 55025222

IUPAC3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO/c17-15-7-1-5-14(10-15)12-19-16-8-2-4-13(11-16)6-3-9-18/h1-2,4-5,7-8,10-11H,9,12,18H2
InChIKeyFEQSGHBXHKERQA-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.71
Rot. Bonds3

About 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine

3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine (PubChem CID 55025222) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
PubChem CID55025222
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO/c17-15-7-1-5-14(10-15)12-19-16-8-2-4-13(11-16)6-3-9-18/h1-2,4-5,7-8,10-11H,9,12,18H2
InChIKeyFEQSGHBXHKERQA-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.71
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

3-[3-(phenoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969909
3-[3-[(2,4-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62197838
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801179
3-[3-[(3-ethylphenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79697897
[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol
CID 79698141
3-[3-fluoro-5-[(3-methylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 79706453
3-[3-fluoro-5-[(3-methoxyphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 79697880
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801178
3-[3-[(2,3-difluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63037141
3-[3-(4-phenylbutoxy)phenyl]prop-2-yn-1-amine
CID 114334348
3-[3-(3,3,3-trifluoropropoxy)phenyl]prop-2-yn-1-amine
CID 64566759

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine (CID 55025222) is 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine is NCC#Cc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is FEQSGHBXHKERQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-7-1-5-14(10-15)12-19-16-8-2-4-13(11-16)6-3-9-18/h1-2,4-5,7-8,10-11H,9,12,18H2.
What are the key properties of 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 255.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 55025222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).