3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine

C13H14BrNO — CID 170878277

IUPAC3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H14BrNO/c14-11-5-3-10(4-6-11)13-8-7-12(16-13)2-1-9-15/h3-8H,1-2,9,15H2
InChIKeyFUAQGQXJSUBYMX-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.60
Rot. Bonds4

About 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine

3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine (PubChem CID 170878277) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
PubChem CID170878277
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H14BrNO/c14-11-5-3-10(4-6-11)13-8-7-12(16-13)2-1-9-15/h3-8H,1-2,9,15H2
InChIKeyFUAQGQXJSUBYMX-UHFFFAOYSA-N
XLogP3.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
CID 66220072
3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine
CID 170868210
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
CID 3244890
2-cyclopenta[b]pyran-2-ylethanamine
CID 57356023
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
2-butyl-5-(4-methylphenyl)furan
CID 86258788
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine
CID 170878490
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
CID 43300975
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
CID 112519724

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine (CID 170878277) is 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine is NCCCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine?
The InChIKey is FUAQGQXJSUBYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-11-5-3-10(4-6-11)13-8-7-12(16-13)2-1-9-15/h3-8H,1-2,9,15H2.
What are the key properties of 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine?
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine has a molecular weight of 280.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 170878277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).