1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine

C14H24BrNO — CID 106858445

IUPAC1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccoc1Br
InChIInChI=1S/C14H24BrNO/c1-4-8-16-13(10-11(5-2)6-3)12-7-9-17-14(12)15/h7,9,11,13,16H,4-6,8,10H2,1-3H3
InChIKeyFFEXOJPHERMULN-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.91
Rot. Bonds8

About 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine

1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine (PubChem CID 106858445) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
PubChem CID106858445
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccoc1Br
InChIInChI=1S/C14H24BrNO/c1-4-8-16-13(10-11(5-2)6-3)12-7-9-17-14(12)15/h7,9,11,13,16H,4-6,8,10H2,1-3H3
InChIKeyFFEXOJPHERMULN-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 106857811
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine (CID 106858445) is 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine?
The InChIKey is FFEXOJPHERMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-4-8-16-13(10-11(5-2)6-3)12-7-9-17-14(12)15/h7,9,11,13,16H,4-6,8,10H2,1-3H3.
What are the key properties of 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine?
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine has a molecular weight of 302.26 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine is sourced from PubChem (CID 106858445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).