1-(2-bromofuran-3-yl)octan-1-amine

C12H20BrNO — CID 106857217

IUPAC1-(2-bromofuran-3-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccoc1Br
InChIInChI=1S/C12H20BrNO/c1-2-3-4-5-6-7-11(14)10-8-9-15-12(10)13/h8-9,11H,2-7,14H2,1H3
InChIKeyTYMYJFWKPYWXTQ-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.40
Rot. Bonds7

About 1-(2-bromofuran-3-yl)octan-1-amine

1-(2-bromofuran-3-yl)octan-1-amine (PubChem CID 106857217) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)octan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)octan-1-amine
PubChem CID106857217
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name1-(2-bromofuran-3-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccoc1Br
InChIInChI=1S/C12H20BrNO/c1-2-3-4-5-6-7-11(14)10-8-9-15-12(10)13/h8-9,11H,2-7,14H2,1H3
InChIKeyTYMYJFWKPYWXTQ-UHFFFAOYSA-N
XLogP4.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bromofuran-3-yl)octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromofuran-3-yl)heptan-1-ol
CID 106859123
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
CID 106857211
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
CID 106857415
1-(2-bromophenyl)hexan-1-amine
CID 62604682
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)octan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)octan-1-amine (CID 106857217) is 1-(2-bromofuran-3-yl)octan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)octan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)octan-1-amine is CCCCCCCC(N)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)octan-1-amine?
The InChIKey is TYMYJFWKPYWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-2-3-4-5-6-7-11(14)10-8-9-15-12(10)13/h8-9,11H,2-7,14H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)octan-1-amine?
1-(2-bromofuran-3-yl)octan-1-amine has a molecular weight of 274.20 g/mol, XLogP of 4.40, 7 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)octan-1-amine is sourced from PubChem (CID 106857217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).