3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C11H18ClNOS — CID 62725480

IUPAC3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-9(8-13-5-6-14-2)7-10-3-4-11(12)15-10/h3-4,9,13H,5-8H2,1-2H3
InChIKeyXIDWIHNAYNSUJW-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.82
Rot. Bonds7

About 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 62725480) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID62725480
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-9(8-13-5-6-14-2)7-10-3-4-11(12)15-10/h3-4,9,13H,5-8H2,1-2H3
InChIKeyXIDWIHNAYNSUJW-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.82
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

3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-(4-methylphenyl)propan-1-amine
CID 79430687
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541
4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665679
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111296
2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62717993
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 103396765
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 104739049
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 62725480) is 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)Cc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is XIDWIHNAYNSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-9(8-13-5-6-14-2)7-10-3-4-11(12)15-10/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 247.79 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62725480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).