N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

C16H19ClFNOS — CID 103043241

IUPACN-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)c1sccc1OC
InChIInChI=1S/C16H19ClFNOS/c1-3-7-19-14(16-15(20-2)6-8-21-16)10-11-4-5-13(18)12(17)9-11/h4-6,8-9,14,19H,3,7,10H2,1-2H3
InChIKeyXONOGGHWIXELEB-UHFFFAOYSA-N
MW327.85 g/mol
LogP4.83
Rot. Bonds7

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

N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (PubChem CID 103043241) has the molecular formula C16H19ClFNOS and a molecular weight of 327.85 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
PubChem CID103043241
Molecular FormulaC16H19ClFNOS
Molecular Weight327.85 g/mol
Exact Mass327.09
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)c1sccc1OC
InChIInChI=1S/C16H19ClFNOS/c1-3-7-19-14(16-15(20-2)6-8-21-16)10-11-4-5-13(18)12(17)9-11/h4-6,8-9,14,19H,3,7,10H2,1-2H3
InChIKeyXONOGGHWIXELEB-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 105032431
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 81122564
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 103039790
[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105290517
N-[2-(4-chlorophenyl)-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 79976161
N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052896
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
2-[1-chloro-2-(3,4-difluorophenyl)ethyl]-3-methoxythiophene
CID 81129991
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (CID 103043241) is N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)c(Cl)c1)c1sccc1OC.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is XONOGGHWIXELEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNOS/c1-3-7-19-14(16-15(20-2)6-8-21-16)10-11-4-5-13(18)12(17)9-11/h4-6,8-9,14,19H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 327.85 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103043241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).