N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

C18H28FNO — CID 115851998

IUPACN-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)C1C(C)OC(C)C1C
InChIInChI=1S/C18H28FNO/c1-6-9-20-18(16-10-15(19)8-7-11(16)2)17-12(3)13(4)21-14(17)5/h7-8,10,12-14,17-18,20H,6,9H2,1-5H3
InChIKeyIWMYXOKPVNFCBG-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.23
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 115851998) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID115851998
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)C1C(C)OC(C)C1C
InChIInChI=1S/C18H28FNO/c1-6-9-20-18(16-10-15(19)8-7-11(16)2)17-12(3)13(4)21-14(17)5/h7-8,10,12-14,17-18,20H,6,9H2,1-5H3
InChIKeyIWMYXOKPVNFCBG-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.23
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-[(2,5-difluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156425
N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
N-[(2,3-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115850487
N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156694
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156334
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154515
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 106878417
N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156773
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (CID 115851998) is N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1C)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is IWMYXOKPVNFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-6-9-20-18(16-10-15(19)8-7-11(16)2)17-12(3)13(4)21-14(17)5/h7-8,10,12-14,17-18,20H,6,9H2,1-5H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115851998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).