N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

C14H16FNOS — CID 50979155

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCOc1cccc(CN(C)Cc2ccsc2)c1F
InChIInChI=1S/C14H16FNOS/c1-16(8-11-6-7-18-10-11)9-12-4-3-5-13(17-2)14(12)15/h3-7,10H,8-9H2,1-2H3
InChIKeyCDNBLHJGLYRFAT-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.53
Rot. Bonds5

About N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 50979155) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID50979155
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCOc1cccc(CN(C)Cc2ccsc2)c1F
InChIInChI=1S/C14H16FNOS/c1-16(8-11-6-7-18-10-11)9-12-4-3-5-13(17-2)14(12)15/h3-7,10H,8-9H2,1-2H3
InChIKeyCDNBLHJGLYRFAT-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 50979155) is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is COc1cccc(CN(C)Cc2ccsc2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is CDNBLHJGLYRFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-16(8-11-6-7-18-10-11)9-12-4-3-5-13(17-2)14(12)15/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 50979155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).