1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine

C15H22FNO2 — CID 112700305

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCC1CCCCO1
InChIInChI=1S/C15H22FNO2/c1-11(17-10-12-6-3-4-9-19-12)15-13(16)7-5-8-14(15)18-2/h5,7-8,11-12,17H,3-4,6,9-10H2,1-2H3
InChIKeyFROCGGLIJHWPGT-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 112700305) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID112700305
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCC1CCCCO1
InChIInChI=1S/C15H22FNO2/c1-11(17-10-12-6-3-4-9-19-12)15-13(16)7-5-8-14(15)18-2/h5,7-8,11-12,17H,3-4,6,9-10H2,1-2H3
InChIKeyFROCGGLIJHWPGT-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014378
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
CID 139016017
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115710006
1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903366
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine (CID 112700305) is 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine is COc1cccc(F)c1C(C)NCC1CCCCO1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is FROCGGLIJHWPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(17-10-12-6-3-4-9-19-12)15-13(16)7-5-8-14(15)18-2/h5,7-8,11-12,17H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 267.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 112700305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).