N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine

C16H24FNO — CID 65166981

IUPACN-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H24FNO/c1-3-18-16(9-8-14-5-4-10-19-14)13-7-6-12(2)15(17)11-13/h6-7,11,14,16,18H,3-5,8-10H2,1-2H3
InChIKeyKNNGQISUCPPKFG-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.74
Rot. Bonds6

About N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65166981) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID65166981
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H24FNO/c1-3-18-16(9-8-14-5-4-10-19-14)13-7-6-12(2)15(17)11-13/h6-7,11,14,16,18H,3-5,8-10H2,1-2H3
InChIKeyKNNGQISUCPPKFG-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
N-ethyl-3-(oxolan-2-yl)-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 65156525
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine (CID 65166981) is N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is KNNGQISUCPPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-18-16(9-8-14-5-4-10-19-14)13-7-6-12(2)15(17)11-13/h6-7,11,14,16,18H,3-5,8-10H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65166981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).