[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine

C15H20FNO — CID 104509409

IUPAC[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2cccc(F)c2)CCOC1C1CC1
InChIInChI=1S/C15H20FNO/c16-13-3-1-2-11(8-13)9-15(10-17)6-7-18-14(15)12-4-5-12/h1-3,8,12,14H,4-7,9-10,17H2
InChIKeyJZAQUTBBAMVEKC-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.51
Rot. Bonds4

About [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine

[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine (PubChem CID 104509409) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
PubChem CID104509409
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2cccc(F)c2)CCOC1C1CC1
InChIInChI=1S/C15H20FNO/c16-13-3-1-2-11(8-13)9-15(10-17)6-7-18-14(15)12-4-5-12/h1-3,8,12,14H,4-7,9-10,17H2
InChIKeyJZAQUTBBAMVEKC-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 104509235
3-(bromomethyl)-2-cyclopropyl-3-[(3-methylphenyl)methyl]oxolane
CID 104510696
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 104810974
[3-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510390
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 113420895
2-cyclopropyl-3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-amine
CID 105375834
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 104509416

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine (CID 104509409) is [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine is NCC1(Cc2cccc(F)c2)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine?
The InChIKey is JZAQUTBBAMVEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-13-3-1-2-11(8-13)9-15(10-17)6-7-18-14(15)12-4-5-12/h1-3,8,12,14H,4-7,9-10,17H2.
What are the key properties of [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine?
[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine has a molecular weight of 249.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 104509409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).