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

C11H18ClNOS — CID 106046471

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-2-14-9-3-7-13-8-6-10-4-5-11(12)15-10/h4-5,13H,2-3,6-9H2,1H3
InChIKeyNYMZVEKOCKHAKY-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.96
Rot. Bonds8

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 106046471) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
PubChem CID106046471
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-2-14-9-3-7-13-8-6-10-4-5-11(12)15-10/h4-5,13H,2-3,6-9H2,1H3
InChIKeyNYMZVEKOCKHAKY-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 114139314
ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
CID 106036708
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111896597
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261
2-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106046477
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(2-ethoxyethoxy)propanamide
CID 51089322
1-(3-butoxypropyl)-3-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylguanidine
CID 111239733
1-[(5-chlorothiophen-2-yl)methyl]-3-(3-ethoxypropyl)-1-methylthiourea
CID 113218506

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine (CID 106046471) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is NYMZVEKOCKHAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-2-14-9-3-7-13-8-6-10-4-5-11(12)15-10/h4-5,13H,2-3,6-9H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 247.79 g/mol, XLogP of 2.96, 8 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]-3-ethoxypropan-1-amine is sourced from PubChem (CID 106046471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).