2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine

C14H25NO2 — CID 116759333

IUPAC2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccco1)C(C)(CC)OCC
InChIInChI=1S/C14H25NO2/c1-5-10-15-13(12-9-8-11-16-12)14(4,6-2)17-7-3/h8-9,11,13,15H,5-7,10H2,1-4H3
InChIKeyIMXKOLAWXIHJBP-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.53
Rot. Bonds8

About 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine

2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 116759333) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID116759333
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccco1)C(C)(CC)OCC
InChIInChI=1S/C14H25NO2/c1-5-10-15-13(12-9-8-11-16-12)14(4,6-2)17-7-3/h8-9,11,13,15H,5-7,10H2,1-4H3
InChIKeyIMXKOLAWXIHJBP-UHFFFAOYSA-N
XLogP3.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
[2-ethoxy-2-ethyl-1-(furan-2-yl)butyl]hydrazine
CID 105274972
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116759381
1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
1-(furan-2-yl)-N,2-dipropylpentan-1-amine
CID 82984685
N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine
CID 62679358
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 106654559
N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493173
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine (CID 116759333) is 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1ccco1)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is IMXKOLAWXIHJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-10-15-13(12-9-8-11-16-12)14(4,6-2)17-7-3/h8-9,11,13,15H,5-7,10H2,1-4H3.
What are the key properties of 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine?
2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116759333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).