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

C17H16FNO — CID 63934930

IUPAC3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cccc(COCc2ccccc2F)c1
InChIInChI=1S/C17H16FNO/c18-17-9-2-1-8-16(17)13-20-12-15-6-3-5-14(11-15)7-4-10-19/h1-3,5-6,8-9,11H,10,12-13,19H2
InChIKeyFQBVZOKMGIHUSH-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.85
Rot. Bonds4

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

3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine (PubChem CID 63934930) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine
PubChem CID63934930
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cccc(COCc2ccccc2F)c1
InChIInChI=1S/C17H16FNO/c18-17-9-2-1-8-16(17)13-20-12-15-6-3-5-14(11-15)7-4-10-19/h1-3,5-6,8-9,11H,10,12-13,19H2
InChIKeyFQBVZOKMGIHUSH-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
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

3-[3-[(2,3-difluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63037141
3-[3-(phenoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969909
3-[3-fluoro-5-(phenylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 79706894
3-[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 64855433
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 55025222
3-[4-(butoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 54970210
3-[3-fluoro-4-(3,3,3-trifluoropropoxymethyl)phenyl]prop-2-yn-1-amine
CID 82954541
3-[3-(oxan-4-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 62382842
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
3-[3-(2-methylbutan-2-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 54970013
3-[3-[(2,4-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62197838

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine (CID 63934930) is 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine is NCC#Cc1cccc(COCc2ccccc2F)c1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine?
The InChIKey is FQBVZOKMGIHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-17-9-2-1-8-16(17)13-20-12-15-6-3-5-14(11-15)7-4-10-19/h1-3,5-6,8-9,11H,10,12-13,19H2.
What are the key properties of 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine?
3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine has a molecular weight of 269.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 63934930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).