1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine

C15H21F2NO — CID 103983538

IUPAC1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-11(12-5-6-14(16)15(17)10-12)18-8-7-13-4-2-3-9-19-13/h5-6,10-11,13,18H,2-4,7-9H2,1H3
InChIKeyJQXUYPBTXMLIAF-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.57
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine

1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine (PubChem CID 103983538) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
PubChem CID103983538
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-11(12-5-6-14(16)15(17)10-12)18-8-7-13-4-2-3-9-19-13/h5-6,10-11,13,18H,2-4,7-9H2,1H3
InChIKeyJQXUYPBTXMLIAF-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 97333998
4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432233
1-(3,4-difluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907301
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine (CID 103983538) is 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine is CC(NCCC1CCCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The InChIKey is JQXUYPBTXMLIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(12-5-6-14(16)15(17)10-12)18-8-7-13-4-2-3-9-19-13/h5-6,10-11,13,18H,2-4,7-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 103983538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).