N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

C16H19F2NOS — CID 81122712

IUPACN-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)c1sccc1OC
InChIInChI=1S/C16H19F2NOS/c1-3-7-19-14(16-15(20-2)6-8-21-16)9-11-4-5-12(17)10-13(11)18/h4-6,8,10,14,19H,3,7,9H2,1-2H3
InChIKeyZYDFGKSYNZXNCN-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (PubChem CID 81122712) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
PubChem CID81122712
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)c1sccc1OC
InChIInChI=1S/C16H19F2NOS/c1-3-7-19-14(16-15(20-2)6-8-21-16)9-11-4-5-12(17)10-13(11)18/h4-6,8,10,14,19H,3,7,9H2,1-2H3
InChIKeyZYDFGKSYNZXNCN-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[1-(3-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethyl]propan-1-amine
CID 80529432
N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 105032431
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 103043241
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
N-[2-(2-chloro-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102622832
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
[2-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119
1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859271
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (CID 81122712) is N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1F)c1sccc1OC.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is ZYDFGKSYNZXNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c1-3-7-19-14(16-15(20-2)6-8-21-16)9-11-4-5-12(17)10-13(11)18/h4-6,8,10,14,19H,3,7,9H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 311.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81122712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).