1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

C15H22FNO2 — CID 103987074

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1ccc(OC)c(F)c1)CC1CCOC1
InChIInChI=1S/C15H22FNO2/c1-17-13(8-12-5-6-19-10-12)7-11-3-4-15(18-2)14(16)9-11/h3-4,9,12-13,17H,5-8,10H2,1-2H3
InChIKeyDWSJMKQKXFTAHW-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.39
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103987074) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID103987074
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1ccc(OC)c(F)c1)CC1CCOC1
InChIInChI=1S/C15H22FNO2/c1-17-13(8-12-5-6-19-10-12)7-11-3-4-15(18-2)14(16)9-11/h3-4,9,12-13,17H,5-8,10H2,1-2H3
InChIKeyDWSJMKQKXFTAHW-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113243362

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (CID 103987074) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is CNC(Cc1ccc(OC)c(F)c1)CC1CCOC1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is DWSJMKQKXFTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-17-13(8-12-5-6-19-10-12)7-11-3-4-15(18-2)14(16)9-11/h3-4,9,12-13,17H,5-8,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103987074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).