2-(furan-2-ylmethyl)-N-methylbutan-1-amine

C10H17NO — CID 62998864

IUPAC2-(furan-2-ylmethyl)-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1ccco1
InChIInChI=1S/C10H17NO/c1-3-9(8-11-2)7-10-5-4-6-12-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyDYESKWLBLUHSLI-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.07
Rot. Bonds5

About 2-(furan-2-ylmethyl)-N-methylbutan-1-amine

2-(furan-2-ylmethyl)-N-methylbutan-1-amine (PubChem CID 62998864) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-N-methylbutan-1-amine
PubChem CID62998864
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(furan-2-ylmethyl)-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1ccco1
InChIInChI=1S/C10H17NO/c1-3-9(8-11-2)7-10-5-4-6-12-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyDYESKWLBLUHSLI-UHFFFAOYSA-N
XLogP2.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylbutyl)furan
CID 68844643
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
2-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 63000314
3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
CID 105029464
3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79420846
N-tert-butyl-2-(furan-2-ylmethyl)pentan-1-amine
CID 62998488
N-ethyl-3-(furan-2-yl)-2-methylpropan-1-amine
CID 63000489
2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62998125
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 103517029

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-N-methylbutan-1-amine (CID 62998864) is 2-(furan-2-ylmethyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-N-methylbutan-1-amine is CCC(CNC)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-N-methylbutan-1-amine?
The InChIKey is DYESKWLBLUHSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(8-11-2)7-10-5-4-6-12-10/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethyl)-N-methylbutan-1-amine?
2-(furan-2-ylmethyl)-N-methylbutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-N-methylbutan-1-amine is sourced from PubChem (CID 62998864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).