N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine

C14H25NO2 — CID 115002660

IUPACN-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine
SMILESCCNC(CCOCCC(C)C)c1ccco1
InChIInChI=1S/C14H25NO2/c1-4-15-13(14-6-5-9-17-14)8-11-16-10-7-12(2)3/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3
InChIKeyPNNPQHPVSUCBQP-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.38
Rot. Bonds9

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

N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine (PubChem CID 115002660) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine
PubChem CID115002660
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine
SMILESCCNC(CCOCCC(C)C)c1ccco1
InChIInChI=1S/C14H25NO2/c1-4-15-13(14-6-5-9-17-14)8-11-16-10-7-12(2)3/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3
InChIKeyPNNPQHPVSUCBQP-UHFFFAOYSA-N
XLogP3.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135418
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
1-(furan-2-yl)-N-methyl-3-propan-2-yloxypropan-1-amine
CID 114997379
3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
CID 103149434
N-ethyl-1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009870
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine (CID 115002660) is N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine is CCNC(CCOCCC(C)C)c1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine?
The InChIKey is PNNPQHPVSUCBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-15-13(14-6-5-9-17-14)8-11-16-10-7-12(2)3/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine?
N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine is sourced from PubChem (CID 115002660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).