1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine

C14H24BrNO2 — CID 116721618

IUPAC1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1occc1Br)C(OCC)C(C)C
InChIInChI=1S/C14H24BrNO2/c1-5-8-16-12(13(10(3)4)17-6-2)14-11(15)7-9-18-14/h7,9-10,12-13,16H,5-6,8H2,1-4H3
InChIKeyNVYIAMZMUHWBPH-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.14
Rot. Bonds8

About 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine

1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 116721618) has the molecular formula C14H24BrNO2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
PubChem CID116721618
Molecular FormulaC14H24BrNO2
Molecular Weight318.26 g/mol
Exact Mass317.10
IUPAC Name1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1occc1Br)C(OCC)C(C)C
InChIInChI=1S/C14H24BrNO2/c1-5-8-16-12(13(10(3)4)17-6-2)14-11(15)7-9-18-14/h7,9-10,12-13,16H,5-6,8H2,1-4H3
InChIKeyNVYIAMZMUHWBPH-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719920
N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 63942450
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103131385
ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine (CID 116721618) is 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine is CCCNC(c1occc1Br)C(OCC)C(C)C.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is NVYIAMZMUHWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2/c1-5-8-16-12(13(10(3)4)17-6-2)14-11(15)7-9-18-14/h7,9-10,12-13,16H,5-6,8H2,1-4H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116721618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).