2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine

C16H24FNO2 — CID 80685372

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)C1(C)CCCCO1
InChIInChI=1S/C16H24FNO2/c1-16(8-4-5-9-20-16)15(18-2)11-12-6-7-14(19-3)13(17)10-12/h6-7,10,15,18H,4-5,8-9,11H2,1-3H3
InChIKeyNPFCQDCYMQOSRM-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80685372) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80685372
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)C1(C)CCCCO1
InChIInChI=1S/C16H24FNO2/c1-16(8-4-5-9-20-16)15(18-2)11-12-6-7-14(19-3)13(17)10-12/h6-7,10,15,18H,4-5,8-9,11H2,1-3H3
InChIKeyNPFCQDCYMQOSRM-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685144
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115829530
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine (CID 80685372) is 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine is CNC(Cc1ccc(OC)c(F)c1)C1(C)CCCCO1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is NPFCQDCYMQOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-16(8-4-5-9-20-16)15(18-2)11-12-6-7-14(19-3)13(17)10-12/h6-7,10,15,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80685372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).