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

C8H12FNOS — CID 122165792

IUPACN-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(F)s1
InChIInChI=1S/C8H12FNOS/c1-11-5-4-10-6-7-2-3-8(9)12-7/h2-3,10H,4-6H2,1H3
InChIKeySHVNUDORDTVUEG-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.62
Rot. Bonds5

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

N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine (PubChem CID 122165792) has the molecular formula C8H12FNOS and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
PubChem CID122165792
Molecular FormulaC8H12FNOS
Molecular Weight189.25 g/mol
Exact Mass189.06
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(F)s1
InChIInChI=1S/C8H12FNOS/c1-11-5-4-10-6-7-2-3-8(9)12-7/h2-3,10H,4-6H2,1H3
InChIKeySHVNUDORDTVUEG-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.62
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-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine
CID 100675553
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
5-[(2-methoxyethylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960372
N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82956655

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine (CID 122165792) is N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine is COCCNCc1ccc(F)s1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is SHVNUDORDTVUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNOS/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-fluorothiophen-2-yl)methyl]-2-methoxyethanamine?
N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 189.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 122165792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).