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

C14H16BrNOS — CID 66220072

IUPAC3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
SMILESNCCCSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H16BrNOS/c15-12-4-2-11(3-5-12)14-7-6-13(17-14)10-18-9-1-8-16/h2-7H,1,8-10,16H2
InChIKeyAPQVMMDLFSKNQN-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.29
Rot. Bonds6

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

3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine (PubChem CID 66220072) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
PubChem CID66220072
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
SMILESNCCCSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H16BrNOS/c15-12-4-2-11(3-5-12)14-7-6-13(17-14)10-18-9-1-8-16/h2-7H,1,8-10,16H2
InChIKeyAPQVMMDLFSKNQN-UHFFFAOYSA-N
XLogP4.29
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-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

3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66103561
1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine
CID 66230095
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682209
6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
CID 43300975
4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
CID 43299577
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
CID 3244890
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-amine
CID 66220273
[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol
CID 14234538
4-(3-aminopropylsulfanylmethyl)-7-bromochromen-2-one
CID 66219537

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine?
The IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine (CID 66220072) is 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine.
What is the SMILES notation for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine?
The canonical SMILES for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine is NCCCSCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine?
The InChIKey is APQVMMDLFSKNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c15-12-4-2-11(3-5-12)14-7-6-13(17-14)10-18-9-1-8-16/h2-7H,1,8-10,16H2.
What are the key properties of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine?
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine has a molecular weight of 326.26 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66220072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).