N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine

C14H19F2NO — CID 43208558

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NC(C)C1CCCO1)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-9(12-8-11(15)5-6-13(12)16)17-10(2)14-4-3-7-18-14/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyLSHVIUPRZBIIEB-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43208558) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43208558
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NC(C)C1CCCO1)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-9(12-8-11(15)5-6-13(12)16)17-10(2)14-4-3-7-18-14/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyLSHVIUPRZBIIEB-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43772020
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 112631436
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 65192062
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
CID 65060465
3,4-difluoro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 55086070
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 66364286
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881271

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 43208558) is N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine is CC(NC(C)C1CCCO1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is LSHVIUPRZBIIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(12-8-11(15)5-6-13(12)16)17-10(2)14-4-3-7-18-14/h5-6,8-10,14,17H,3-4,7H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43208558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).