N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine

C8H12ClNOS — CID 28565625

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c1-11-5-4-10-6-7-2-3-8(9)12-7/h2-3,10H,4-6H2,1H3
InChIKeyJBBKFPUTHYIUMI-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.14
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine (PubChem CID 28565625) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
PubChem CID28565625
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c1-11-5-4-10-6-7-2-3-8(9)12-7/h2-3,10H,4-6H2,1H3
InChIKeyJBBKFPUTHYIUMI-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.14
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-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 122165792
2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine
CID 100675553
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66403049
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106046898
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
methyl 4-[(5-chlorothiophen-2-yl)methylamino]butanoate
CID 60694442
2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62717993
N-[(5-chlorothiophen-2-yl)methyl]-2-diethoxyphosphorylethanamine
CID 112742514

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine (CID 28565625) is N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine is COCCNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is JBBKFPUTHYIUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-11-5-4-10-6-7-2-3-8(9)12-7/h2-3,10H,4-6H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 205.71 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 28565625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).