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

C17H22FNO — CID 65296874

IUPACN-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)o1
InChIInChI=1S/C17H22FNO/c1-5-8-19-17(15-7-6-13(4)20-15)14-9-11(2)16(18)12(3)10-14/h6-7,9-10,17,19H,5,8H2,1-4H3
InChIKeyHITQQCBHEFZEFG-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.43
Rot. Bonds5

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

N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 65296874) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID65296874
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)o1
InChIInChI=1S/C17H22FNO/c1-5-8-19-17(15-7-6-13(4)20-15)14-9-11(2)16(18)12(3)10-14/h6-7,9-10,17,19H,5,8H2,1-4H3
InChIKeyHITQQCBHEFZEFG-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-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974
N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43495625
N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 79692841
N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81044838
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049
N-[(2-chloro-4,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107476667
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 106764829

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (CID 65296874) is N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)c(F)c(C)c1)c1ccc(C)o1.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is HITQQCBHEFZEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-5-8-19-17(15-7-6-13(4)20-15)14-9-11(2)16(18)12(3)10-14/h6-7,9-10,17,19H,5,8H2,1-4H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)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-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65296874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).