N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine

C14H20FNO — CID 65328698

IUPACN-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)C1CCCO1
InChIInChI=1S/C14H20FNO/c1-3-16-14(13-5-4-8-17-13)12-9-11(15)7-6-10(12)2/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyWJFWZIRYJZDGDA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.96
Rot. Bonds4

About N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine

N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine (PubChem CID 65328698) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
PubChem CID65328698
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)C1CCCO1
InChIInChI=1S/C14H20FNO/c1-3-16-14(13-5-4-8-17-13)12-9-11(15)7-6-10(12)2/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyWJFWZIRYJZDGDA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 103433591
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine (CID 65328698) is N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1C)C1CCCO1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine?
The InChIKey is WJFWZIRYJZDGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-16-14(13-5-4-8-17-13)12-9-11(15)7-6-10(12)2/h6-7,9,13-14,16H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine?
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 65328698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).