N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

C15H17F2NOS — CID 115859772

IUPACN-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NOS/c1-3-8-18-14(15-12(19-2)7-9-20-15)13-10(16)5-4-6-11(13)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyUQNBPCSWRPIHQS-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.12
Rot. Bonds6

About N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 115859772) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID115859772
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC NameN-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NOS/c1-3-8-18-14(15-12(19-2)7-9-20-15)13-10(16)5-4-6-11(13)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyUQNBPCSWRPIHQS-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]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

N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
N-[(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 107130279
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803
N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 105032431
N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105010612
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 81124888
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122006
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (CID 115859772) is N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1OC)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is UQNBPCSWRPIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-3-8-18-14(15-12(19-2)7-9-20-15)13-10(16)5-4-6-11(13)17/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 297.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115859772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).