N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine

C14H20FNO — CID 55111300

IUPACN-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccccc2F)CCOC1
InChIInChI=1S/C14H20FNO/c1-2-16-10-14(7-8-17-11-14)9-12-5-3-4-6-13(12)15/h3-6,16H,2,7-11H2,1H3
InChIKeyAKXZHHFFNDPUMY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.38
Rot. Bonds5

About N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 55111300) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID55111300
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccccc2F)CCOC1
InChIInChI=1S/C14H20FNO/c1-2-16-10-14(7-8-17-11-14)9-12-5-3-4-6-13(12)15/h3-6,16H,2,7-11H2,1H3
InChIKeyAKXZHHFFNDPUMY-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182
N-[[4-[(2-chlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 62904848
[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
CID 66024317
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 65326633
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62720099
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 55131600
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
CID 55056002
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
CID 62258149
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine (CID 55111300) is N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2ccccc2F)CCOC1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is AKXZHHFFNDPUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-16-10-14(7-8-17-11-14)9-12-5-3-4-6-13(12)15/h3-6,16H,2,7-11H2,1H3.
What are the key properties of N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 55111300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).