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

C16H13F2NO — CID 60799612

IUPAC3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccccc1OCc1cccc(F)c1F
InChIInChI=1S/C16H13F2NO/c17-14-8-3-6-13(16(14)18)11-20-15-9-2-1-5-12(15)7-4-10-19/h1-3,5-6,8-9H,10-11,19H2
InChIKeyKXMCJMFAWJBFEY-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.85
Rot. Bonds3

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

3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine (PubChem CID 60799612) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
PubChem CID60799612
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccccc1OCc1cccc(F)c1F
InChIInChI=1S/C16H13F2NO/c17-14-8-3-6-13(16(14)18)11-20-15-9-2-1-5-12(15)7-4-10-19/h1-3,5-6,8-9H,10-11,19H2
InChIKeyKXMCJMFAWJBFEY-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.85
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-[[2-(4-chlorobut-1-ynyl)phenoxy]methyl]-2,3-difluorobenzene
CID 60802065
3-[4-[(2,3-difluorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83137695
4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol
CID 63037486
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
3-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 102858082
2-[[2-(3-chloroprop-1-ynyl)phenoxy]methyl]-1,3-difluorobenzene
CID 114932781
3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride
CID 75365738
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
3-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62160017
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 61030126
3-[3-[(2,3-difluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63037141

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine (CID 60799612) is 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine is NCC#Cc1ccccc1OCc1cccc(F)c1F.
What is the InChIKey of 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is KXMCJMFAWJBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-14-8-3-6-13(16(14)18)11-20-15-9-2-1-5-12(15)7-4-10-19/h1-3,5-6,8-9H,10-11,19H2.
What are the key properties of 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine?
3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 273.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 60799612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).