N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H15F2NS — CID 61057095

IUPACN-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H15F2NS/c1-2-13(14-4-3-7-18-14)17-9-10-5-6-11(15)8-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyVLBLAKBTOXTCDU-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.27
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61057095) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61057095
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H15F2NS/c1-2-13(14-4-3-7-18-14)17-9-10-5-6-11(15)8-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyVLBLAKBTOXTCDU-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-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-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 102609818
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
1-thiophen-2-yl-N-[(2,4,5-trifluorophenyl)methyl]butan-1-amine
CID 103792753
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 102876330
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106263333
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 61057095) is N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccc(F)cc1F)c1cccs1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is VLBLAKBTOXTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-2-13(14-4-3-7-18-14)17-9-10-5-6-11(15)8-12(10)16/h3-8,13,17H,2,9H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61057095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).