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

C17H22FNO — CID 63047740

IUPACN-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1cc(C)oc1C
InChIInChI=1S/C17H22FNO/c1-5-8-19-17(16-9-12(3)20-13(16)4)15-10-14(18)7-6-11(15)2/h6-7,9-10,17,19H,5,8H2,1-4H3
InChIKeyDJNBNGXNXFMLSM-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.43
Rot. Bonds5

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

N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 63047740) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID63047740
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1cc(C)oc1C
InChIInChI=1S/C17H22FNO/c1-5-8-19-17(16-9-12(3)20-13(16)4)15-10-14(18)7-6-11(15)2/h6-7,9-10,17,19H,5,8H2,1-4H3
InChIKeyDJNBNGXNXFMLSM-UHFFFAOYSA-N
XLogP4.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496090
N-[(2,6-difluoro-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82797631
N-[1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105051030
N-[(4-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503981
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
N-[(2,3-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63502105
N-[(5-bromo-2-chlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503979
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[(3-chloro-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82875567
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 63047740) is N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1C)c1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is DJNBNGXNXFMLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-5-8-19-17(16-9-12(3)20-13(16)4)15-10-14(18)7-6-11(15)2/h6-7,9-10,17,19H,5,8H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63047740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).