2-[(5-chlorothiophen-2-yl)methylamino]ethanol

C7H10ClNOS — CID 28878613

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]ethanol
SMILESOCCNCc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c8-7-2-1-6(11-7)5-9-3-4-10/h1-2,9-10H,3-5H2
InChIKeyCWBHGVLSEKSSRQ-UHFFFAOYSA-N
MW191.68 g/mol
LogP1.48
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methylamino]ethanol

2-[(5-chlorothiophen-2-yl)methylamino]ethanol (PubChem CID 28878613) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]ethanol
PubChem CID28878613
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]ethanol
SMILESOCCNCc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c8-7-2-1-6(11-7)5-9-3-4-10/h1-2,9-10H,3-5H2
InChIKeyCWBHGVLSEKSSRQ-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 51.48
H-Bond Donors ≤ 52
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-methoxyethanamine
CID 28565625
2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol
CID 110879164
4-[(5-chlorothiophen-2-yl)methylamino]butanamide
CID 60863033
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
N-[(5-chlorothiophen-2-yl)methyl]pent-3-yn-1-amine
CID 104806987
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
methyl 4-[(5-chlorothiophen-2-yl)methylamino]butanoate
CID 60694442
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
N-[(5-chlorothiophen-2-yl)methyl]-2-diethoxyphosphorylethanamine
CID 112742514

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]ethanol (CID 28878613) is 2-[(5-chlorothiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]ethanol is OCCNCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]ethanol?
The InChIKey is CWBHGVLSEKSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c8-7-2-1-6(11-7)5-9-3-4-10/h1-2,9-10H,3-5H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]ethanol?
2-[(5-chlorothiophen-2-yl)methylamino]ethanol has a molecular weight of 191.68 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 28878613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).