3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride

C11H20ClNOS — CID 2969533

IUPAC3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCCOCCCNCc1sccc1C.Cl
InChIInChI=1S/C11H19NOS.ClH/c1-3-13-7-4-6-12-9-11-10(2)5-8-14-11;/h5,8,12H,3-4,6-7,9H2,1-2H3;1H
InChIKeyYQFRIICTUHWHJY-UHFFFAOYSA-N
MW249.81 g/mol
LogP2.99
Rot. Bonds7

About 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride

3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 2969533) has the molecular formula C11H20ClNOS and a molecular weight of 249.81 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride
PubChem CID2969533
Molecular FormulaC11H20ClNOS
Molecular Weight249.81 g/mol
Exact Mass249.10
IUPAC Name3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCCOCCCNCc1sccc1C.Cl
InChIInChI=1S/C11H19NOS.ClH/c1-3-13-7-4-6-12-9-11-10(2)5-8-14-11;/h5,8,12H,3-4,6-7,9H2,1-2H3;1H
InChIKeyYQFRIICTUHWHJY-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.81
LogP ≤ 52.99
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

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol
CID 3156001
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
(3-Isopropoxy-propyl)-thiophen-2-ylmethyl-amine
CID 3155084
[3-(Morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride
CID 9551938
2-Methyl-2-(thiophen-2-ylmethylamino)propan-1-ol;hydrochloride
CID 16189453
N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 961382
N,N-Dimethyl-N'-[(3-methyl-2-thienyl)methyl]-1,2-ethanediamine
CID 4720499
(2-Methoxyethyl)[(thiophen-2-yl)methyl]amine
CID 4719999
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465
2-Methyl-2-{[(3-methylthiophen-2-YL)methyl]amino}propan-1-OL
CID 834041
3-[4-[3-(Thiophen-2-ylmethylamino)propoxy]butoxy]propan-1-amine
CID 76317037

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride (CID 2969533) is 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride is CCOCCCNCc1sccc1C.Cl.
What is the InChIKey of 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is YQFRIICTUHWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS.ClH/c1-3-13-7-4-6-12-9-11-10(2)5-8-14-11;/h5,8,12H,3-4,6-7,9H2,1-2H3;1H.
What are the key properties of 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride?
3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 249.81 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 2969533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).