1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C13H23NO2 — CID 103027176

IUPAC1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-5-7-14-12(9-13(2,3)15-4)11-6-8-16-10-11/h6,8,10,12,14H,5,7,9H2,1-4H3
InChIKeyAFXLUEJPMUHTLK-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.14
Rot. Bonds7

About 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103027176) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103027176
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-5-7-14-12(9-13(2,3)15-4)11-6-8-16-10-11/h6,8,10,12,14H,5,7,9H2,1-4H3
InChIKeyAFXLUEJPMUHTLK-UHFFFAOYSA-N
XLogP3.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559312
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039717
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
CID 105146820
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
CID 103759862
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105146793
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103027176) is 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is AFXLUEJPMUHTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-7-14-12(9-13(2,3)15-4)11-6-8-16-10-11/h6,8,10,12,14H,5,7,9H2,1-4H3.
What are the key properties of 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103027176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).