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

C17H22FNO — CID 63210049

IUPACN-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)c1ccc(CC)o1
InChIInChI=1S/C17H22FNO/c1-4-10-19-17(16-9-7-14(5-2)20-16)13-6-8-15(18)12(3)11-13/h6-9,11,17,19H,4-5,10H2,1-3H3
InChIKeyRHHKNDIUTYQUAV-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.38
Rot. Bonds6

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

N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine (PubChem CID 63210049) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
PubChem CID63210049
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)c1ccc(CC)o1
InChIInChI=1S/C17H22FNO/c1-4-10-19-17(16-9-7-14(5-2)20-16)13-6-8-15(18)12(3)11-13/h6-9,11,17,19H,4-5,10H2,1-3H3
InChIKeyRHHKNDIUTYQUAV-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346046
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran
CID 79747562
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223
N-[(4,5-dimethylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 79746806
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine (CID 63210049) is N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(C)c1)c1ccc(CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is RHHKNDIUTYQUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-4-10-19-17(16-9-7-14(5-2)20-16)13-6-8-15(18)12(3)11-13/h6-9,11,17,19H,4-5,10H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63210049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).