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

C16H20ClNOS — CID 106041834

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)s1)c1ccc(OC)cc1
InChIInChI=1S/C16H20ClNOS/c1-3-15(12-4-6-13(19-2)7-5-12)18-11-10-14-8-9-16(17)20-14/h4-9,15,18H,3,10-11H2,1-2H3
InChIKeyUBKOSXBHRQCDRL-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.69
Rot. Bonds7

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 106041834) 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-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID106041834
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)s1)c1ccc(OC)cc1
InChIInChI=1S/C16H20ClNOS/c1-3-15(12-4-6-13(19-2)7-5-12)18-11-10-14-8-9-16(17)20-14/h4-9,15,18H,3,10-11H2,1-2H3
InChIKeyUBKOSXBHRQCDRL-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 103779248
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 106041212
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
CID 106041991
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
CID 106046568
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103947737

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine (CID 106041834) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine is CCC(NCCc1ccc(Cl)s1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is UBKOSXBHRQCDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-3-15(12-4-6-13(19-2)7-5-12)18-11-10-14-8-9-16(17)20-14/h4-9,15,18H,3,10-11H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 309.86 g/mol, XLogP of 4.69, 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-1-amine is sourced from PubChem (CID 106041834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).