N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine

C11H19NO — CID 81016443

IUPACN-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)c1ccco1
InChIInChI=1S/C11H19NO/c1-4-12-8-9(2)10(3)11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyFCEAIIRLDSPYMZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.63
Rot. Bonds5

About N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine

N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine (PubChem CID 81016443) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine
PubChem CID81016443
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)c1ccco1
InChIInChI=1S/C11H19NO/c1-4-12-8-9(2)10(3)11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyFCEAIIRLDSPYMZ-UHFFFAOYSA-N
XLogP2.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-ethyl-3-(furan-2-yl)-2-methylpropan-1-amine
CID 63000489
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
3-(2,3-dimethylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 81016661
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546427
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
N-ethyl-3-(furan-2-yl)-4-phenylbutan-1-amine
CID 5149078
N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81015140
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine (CID 81016443) is N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine is CCNCC(C)C(C)c1ccco1.
What is the InChIKey of N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine?
The InChIKey is FCEAIIRLDSPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12-8-9(2)10(3)11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine?
N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 81016443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).