N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine

C15H22FNO2 — CID 105025194

IUPACN-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1F)C1COC(C)C1
InChIInChI=1S/C15H22FNO2/c1-4-17-15(11-8-10(2)19-9-11)12-6-5-7-13(18-3)14(12)16/h5-7,10-11,15,17H,4,8-9H2,1-3H3
InChIKeyKLKYRNCWUGNJAM-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.91
Rot. Bonds5

About N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine

N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 105025194) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
PubChem CID105025194
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1F)C1COC(C)C1
InChIInChI=1S/C15H22FNO2/c1-4-17-15(11-8-10(2)19-9-11)12-6-5-7-13(18-3)14(12)16/h5-7,10-11,15,17H,4,8-9H2,1-3H3
InChIKeyKLKYRNCWUGNJAM-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methanamine
CID 105025195
N-[(5-fluoro-2-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825145
N-[(3-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106648226
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021388
N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105022130
[2-(2-fluoro-3-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105334314
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018423
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103547077
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine (CID 105025194) is N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cccc(OC)c1F)C1COC(C)C1.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is KLKYRNCWUGNJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-17-15(11-8-10(2)19-9-11)12-6-5-7-13(18-3)14(12)16/h5-7,10-11,15,17H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine?
N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105025194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).