N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine

C16H21ClN2S — CID 105014714

IUPACN-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)c1sccc1Cl
InChIInChI=1S/C16H21ClN2S/c1-3-8-18-15(16-14(17)7-9-20-16)10-13-6-5-12(4-2)11-19-13/h5-7,9,11,15,18H,3-4,8,10H2,1-2H3
InChIKeySGFQHVZZNUWZFM-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.64
Rot. Bonds7

About N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine

N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 105014714) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID105014714
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC NameN-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)c1sccc1Cl
InChIInChI=1S/C16H21ClN2S/c1-3-8-18-15(16-14(17)7-9-20-16)10-13-6-5-12(4-2)11-19-13/h5-7,9,11,15,18H,3-4,8,10H2,1-2H3
InChIKeySGFQHVZZNUWZFM-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-ethyl-2-pyridinyl)-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105014658
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105036190
N-[2-(5-ethyl-2-pyridinyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105168926
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 79748221
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine (CID 105014714) is N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cn1)c1sccc1Cl.
What is the InChIKey of N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is SGFQHVZZNUWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-3-8-18-15(16-14(17)7-9-20-16)10-13-6-5-12(4-2)11-19-13/h5-7,9,11,15,18H,3-4,8,10H2,1-2H3.
What are the key properties of N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 308.88 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).