2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine

C14H20FNO — CID 115042163

IUPAC2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1C(F)C1CCCOC1
InChIInChI=1S/C14H20FNO/c15-14(12-5-3-9-17-10-12)13-6-2-1-4-11(13)7-8-16/h1-2,4,6,12,14H,3,5,7-10,16H2
InChIKeyOTLUWDYSZRMZRP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.62
Rot. Bonds4

About 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine

2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine (PubChem CID 115042163) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
PubChem CID115042163
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1C(F)C1CCCOC1
InChIInChI=1S/C14H20FNO/c15-14(12-5-3-9-17-10-12)13-6-2-1-4-11(13)7-8-16/h1-2,4,6,12,14H,3,5,7-10,16H2
InChIKeyOTLUWDYSZRMZRP-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
CID 115039806
[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
CID 115025382
7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 107138259
1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139167
2-[2-(1-fluoro-2-methylpropyl)phenyl]ethanamine
CID 115020375
[2-[fluoro(thian-3-yl)methyl]phenyl]methanamine
CID 115043292
2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine
CID 115024262
(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
CID 105482980
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine
CID 63741473
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
CID 107136473

Frequently Asked Questions

What is the IUPAC name of 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine (CID 115042163) is 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine is NCCc1ccccc1C(F)C1CCCOC1.
What is the InChIKey of 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine?
The InChIKey is OTLUWDYSZRMZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14(12-5-3-9-17-10-12)13-6-2-1-4-11(13)7-8-16/h1-2,4,6,12,14H,3,5,7-10,16H2.
What are the key properties of 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine?
2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 115042163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).