N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

C14H16ClFN2S — CID 103947737

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)s1)c1ccc(F)cn1
InChIInChI=1S/C14H16ClFN2S/c1-2-12(13-5-3-10(16)9-18-13)17-8-7-11-4-6-14(15)19-11/h3-6,9,12,17H,2,7-8H2,1H3
InChIKeyXUVCDUNAMPJYRC-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.22
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 103947737) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID103947737
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)s1)c1ccc(F)cn1
InChIInChI=1S/C14H16ClFN2S/c1-2-12(13-5-3-10(16)9-18-13)17-8-7-11-4-6-14(15)19-11/h3-6,9,12,17H,2,7-8H2,1H3
InChIKeyXUVCDUNAMPJYRC-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395927
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 115939367
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine
CID 115938750
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 103947737) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC(NCCc1ccc(Cl)s1)c1ccc(F)cn1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is XUVCDUNAMPJYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-2-12(13-5-3-10(16)9-18-13)17-8-7-11-4-6-14(15)19-11/h3-6,9,12,17H,2,7-8H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 298.81 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 103947737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).