1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

C16H24FNO2 — CID 103903366

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCC1(C)CCOCC1
InChIInChI=1S/C16H24FNO2/c1-12(15-13(17)5-4-6-14(15)19-3)18-11-16(2)7-9-20-10-8-16/h4-6,12,18H,7-11H2,1-3H3
InChIKeyYGEDBXGSOLZMKJ-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.30
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 103903366) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID103903366
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCC1(C)CCOCC1
InChIInChI=1S/C16H24FNO2/c1-12(15-13(17)5-4-6-14(15)19-3)18-11-16(2)7-9-20-10-8-16/h4-6,12,18H,7-11H2,1-3H3
InChIKeyYGEDBXGSOLZMKJ-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

2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750572
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103786239
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]butanenitrile
CID 75443103
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 112568297

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 103903366) is 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is COc1cccc(F)c1C(C)NCC1(C)CCOCC1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is YGEDBXGSOLZMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(15-13(17)5-4-6-14(15)19-3)18-11-16(2)7-9-20-10-8-16/h4-6,12,18H,7-11H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]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 1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 103903366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).