N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

C16H20ClNOS — CID 103779248

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C16H20ClNOS/c1-12(11-13-3-5-14(19-2)6-4-13)18-10-9-15-7-8-16(17)20-15/h3-8,12,18H,9-11H2,1-2H3
InChIKeyZZZNYBLQTQYWRR-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 103779248) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
PubChem CID103779248
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C16H20ClNOS/c1-12(11-13-3-5-14(19-2)6-4-13)18-10-9-15-7-8-16(17)20-15/h3-8,12,18H,9-11H2,1-2H3
InChIKeyZZZNYBLQTQYWRR-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 65444462
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
CID 115716045
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (CID 103779248) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)NCCc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is ZZZNYBLQTQYWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-12(11-13-3-5-14(19-2)6-4-13)18-10-9-15-7-8-16(17)20-15/h3-8,12,18H,9-11H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.17, 7 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-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 103779248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).