N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C18H28FNO — CID 106878417

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(F)cc1C)C1C(C)OC(C)C1C
InChIInChI=1S/C18H28FNO/c1-7-20-18(17-12(4)13(5)21-14(17)6)16-10(2)8-15(19)9-11(16)3/h8-9,12-14,17-18,20H,7H2,1-6H3
InChIKeyYQUYRHKXSREAMK-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.15
Rot. Bonds4

About N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 106878417) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID106878417
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(F)cc1C)C1C(C)OC(C)C1C
InChIInChI=1S/C18H28FNO/c1-7-20-18(17-12(4)13(5)21-14(17)6)16-10(2)8-15(19)9-11(16)3/h8-9,12-14,17-18,20H,7H2,1-6H3
InChIKeyYQUYRHKXSREAMK-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115852535
N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156773
N-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156425
N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115851998
N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156595
N-[pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115799740
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105054339
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105047272
N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156694
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154515

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 106878417) is N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(c1c(C)cc(F)cc1C)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is YQUYRHKXSREAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-7-20-18(17-12(4)13(5)21-14(17)6)16-10(2)8-15(19)9-11(16)3/h8-9,12-14,17-18,20H,7H2,1-6H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 106878417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).