2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine

C13H22ClNOS — CID 62717993

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CNCCOC)Cc1ccc(Cl)s1
InChIInChI=1S/C13H22ClNOS/c1-4-13(2,10-15-7-8-16-3)9-11-5-6-12(14)17-11/h5-6,15H,4,7-10H2,1-3H3
InChIKeySOYGATZGBUGMQU-UHFFFAOYSA-N
MW275.84 g/mol
LogP3.60
Rot. Bonds8

About 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine (PubChem CID 62717993) has the molecular formula C13H22ClNOS and a molecular weight of 275.84 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
PubChem CID62717993
Molecular FormulaC13H22ClNOS
Molecular Weight275.84 g/mol
Exact Mass275.11
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CNCCOC)Cc1ccc(Cl)s1
InChIInChI=1S/C13H22ClNOS/c1-4-13(2,10-15-7-8-16-3)9-11-5-6-12(14)17-11/h5-6,15H,4,7-10H2,1-3H3
InChIKeySOYGATZGBUGMQU-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.84
LogP ≤ 53.60
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

2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 103041084
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55111248
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 104810681
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
CID 65149389
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine (CID 62717993) is 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine is CCC(C)(CNCCOC)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The InChIKey is SOYGATZGBUGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNOS/c1-4-13(2,10-15-7-8-16-3)9-11-5-6-12(14)17-11/h5-6,15H,4,7-10H2,1-3H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine has a molecular weight of 275.84 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 62717993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).