N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine

C14H15F2NS — CID 60957947

IUPACN-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(CNCc2cc(F)ccc2F)s1
InChIInChI=1S/C14H15F2NS/c1-2-12-4-5-13(18-12)9-17-8-10-7-11(15)3-6-14(10)16/h3-7,17H,2,8-9H2,1H3
InChIKeyVPKFLMGXWGZKNI-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.88
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine

N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine (PubChem CID 60957947) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
PubChem CID60957947
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(CNCc2cc(F)ccc2F)s1
InChIInChI=1S/C14H15F2NS/c1-2-12-4-5-13(18-12)9-17-8-10-7-11(15)3-6-14(10)16/h3-7,17H,2,8-9H2,1H3
InChIKeyVPKFLMGXWGZKNI-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894885
1-(5-ethylthiophen-2-yl)-N-[(5-fluoro-2-nitrophenyl)methyl]methanamine
CID 106010790
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
N-[[2-[(5-ethylthiophen-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695898
N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106010977
2-ethyl-1,4-difluorobenzene
CID 23202513
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine (CID 60957947) is N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(CNCc2cc(F)ccc2F)s1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is VPKFLMGXWGZKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-2-12-4-5-13(18-12)9-17-8-10-7-11(15)3-6-14(10)16/h3-7,17H,2,8-9H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 267.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 60957947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).