N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine

C16H24FNO2 — CID 103786239

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCOc1cccc(F)c1C(C)NC(C)C1CCOCC1
InChIInChI=1S/C16H24FNO2/c1-11(13-7-9-20-10-8-13)18-12(2)16-14(17)5-4-6-15(16)19-3/h4-6,11-13,18H,7-10H2,1-3H3
InChIKeyDGEDUJPNSBKEHF-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.30
Rot. Bonds5

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103786239) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine
PubChem CID103786239
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCOc1cccc(F)c1C(C)NC(C)C1CCOCC1
InChIInChI=1S/C16H24FNO2/c1-11(13-7-9-20-10-8-13)18-12(2)16-14(17)5-4-6-15(16)19-3/h4-6,11-13,18H,7-10H2,1-3H3
InChIKeyDGEDUJPNSBKEHF-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 75427573
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
1-[(S)-(2-fluoro-6-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280770
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903366
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 112568297

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine (CID 103786239) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine is COc1cccc(F)c1C(C)NC(C)C1CCOCC1.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is DGEDUJPNSBKEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(13-7-9-20-10-8-13)18-12(2)16-14(17)5-4-6-15(16)19-3/h4-6,11-13,18H,7-10H2,1-3H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103786239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).