N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

C14H15BrFNOS — CID 60957657

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCSCc1ccc(CNCc2cc(Br)ccc2F)o1
InChIInChI=1S/C14H15BrFNOS/c1-19-9-13-4-3-12(18-13)8-17-7-10-6-11(15)2-5-14(10)16/h2-6,17H,7-9H2,1H3
InChIKeyGVPZTLZGSGZXPM-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.33
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (PubChem CID 60957657) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
PubChem CID60957657
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCSCc1ccc(CNCc2cc(Br)ccc2F)o1
InChIInChI=1S/C14H15BrFNOS/c1-19-9-13-4-3-12(18-13)8-17-7-10-6-11(15)2-5-14(10)16/h2-6,17H,7-9H2,1H3
InChIKeyGVPZTLZGSGZXPM-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine 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-(4-bromo-2-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 55081450
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
5-bromo-2-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 62913568
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]aniline
CID 66418834
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
1-(5-bromo-2-fluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63453864
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (CID 60957657) is N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is CSCc1ccc(CNCc2cc(Br)ccc2F)o1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The InChIKey is GVPZTLZGSGZXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-19-9-13-4-3-12(18-13)8-17-7-10-6-11(15)2-5-14(10)16/h2-6,17H,7-9H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine has a molecular weight of 344.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 60957657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).