N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine

C14H19NO2 — CID 114820178

IUPACN-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1ccc(C)o1
InChIInChI=1S/C14H19NO2/c1-4-7-15-14(12-8-11(3)16-9-12)13-6-5-10(2)17-13/h5-6,8-9,14-15H,4,7H2,1-3H3
InChIKeyVFVWOWRBKOVVFI-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.58
Rot. Bonds5

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

N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 114820178) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID114820178
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1ccc(C)o1
InChIInChI=1S/C14H19NO2/c1-4-7-15-14(12-8-11(3)16-9-12)13-6-5-10(2)17-13/h5-6,8-9,14-15H,4,7H2,1-3H3
InChIKeyVFVWOWRBKOVVFI-UHFFFAOYSA-N
XLogP3.58
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate
CID 114820388
N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 79692841
N-[(5-methylfuran-3-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 114820083
N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042
N-[(5-fluoro-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820102
N-[(5-methylfuran-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807959
N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850651

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine (CID 114820178) is N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1coc(C)c1)c1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is VFVWOWRBKOVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-7-15-14(12-8-11(3)16-9-12)13-6-5-10(2)17-13/h5-6,8-9,14-15H,4,7H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114820178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).