N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine

C14H20FNO — CID 103769024

IUPACN-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-11(13-5-7-17-8-6-13)16-10-12-3-2-4-14(15)9-12/h2-4,9,11,13,16H,5-8,10H2,1H3
InChIKeyKJDCJUCKAMPHGY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.73
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103769024) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103769024
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-11(13-5-7-17-8-6-13)16-10-12-3-2-4-14(15)9-12/h2-4,9,11,13,16H,5-8,10H2,1H3
InChIKeyKJDCJUCKAMPHGY-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308668
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43777654
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
CID 103769027
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine (CID 103769024) is N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine is CC(NCc1cccc(F)c1)C1CCOCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is KJDCJUCKAMPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(13-5-7-17-8-6-13)16-10-12-3-2-4-14(15)9-12/h2-4,9,11,13,16H,5-8,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103769024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).