N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C16H24FNO — CID 65156773

IUPACN-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H24FNO/c1-5-18-16(13-6-8-14(17)9-7-13)15-10(2)11(3)19-12(15)4/h6-12,15-16,18H,5H2,1-4H3
InChIKeyBOWMGNHFBCLOBJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 65156773) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID65156773
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H24FNO/c1-5-18-16(13-6-8-14(17)9-7-13)15-10(2)11(3)19-12(15)4/h6-12,15-16,18H,5H2,1-4H3
InChIKeyBOWMGNHFBCLOBJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156425
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115852535
N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 106878417
N-[pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115799740
N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156334
N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115851998
N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156595
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
1-(4-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154809
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105054339

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 65156773) is N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(F)cc1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is BOWMGNHFBCLOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-18-16(13-6-8-14(17)9-7-13)15-10(2)11(3)19-12(15)4/h6-12,15-16,18H,5H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65156773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).