1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

C15H22FNO — CID 115828162

IUPAC1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-17-15(13-7-2-3-8-14(13)16)10-9-12-6-4-5-11-18-12/h2-3,7-8,12,15,17H,4-6,9-11H2,1H3
InChIKeySNABJDHKDKGXTR-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 115828162) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
PubChem CID115828162
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-17-15(13-7-2-3-8-14(13)16)10-9-12-6-4-5-11-18-12/h2-3,7-8,12,15,17H,4-6,9-11H2,1H3
InChIKeySNABJDHKDKGXTR-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 105022709
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993224
1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115856332
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
N-methyl-4-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 104993115
1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953131
1-(4-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164563

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (CID 115828162) is 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is CNC(CCC1CCCCO1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is SNABJDHKDKGXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-17-15(13-7-2-3-8-14(13)16)10-9-12-6-4-5-11-18-12/h2-3,7-8,12,15,17H,4-6,9-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 115828162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).