4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol

C15H18ClNO3S — CID 43432574

IUPAC4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNC(C)c2ccc(Cl)s2)cc(OC)c1O
InChIInChI=1S/C15H18ClNO3S/c1-9(13-4-5-14(16)21-13)17-8-10-6-11(19-2)15(18)12(7-10)20-3/h4-7,9,17-18H,8H2,1-3H3
InChIKeyVZGNXNFBXBGZCW-UHFFFAOYSA-N
MW327.83 g/mol
LogP3.98
Rot. Bonds6

About 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol

4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol (PubChem CID 43432574) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
PubChem CID43432574
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNC(C)c2ccc(Cl)s2)cc(OC)c1O
InChIInChI=1S/C15H18ClNO3S/c1-9(13-4-5-14(16)21-13)17-8-10-6-11(19-2)15(18)12(7-10)20-3/h4-7,9,17-18H,8H2,1-3H3
InChIKeyVZGNXNFBXBGZCW-UHFFFAOYSA-N
XLogP3.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43432626
1-(5-chlorothiophen-2-yl)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]ethanamine
CID 43612762
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
1-(5-chlorothiophen-2-yl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43432665
1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
CID 43438932
(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 94114613
1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47027581
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 61473429
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol (CID 43432574) is 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol is COc1cc(CNC(C)c2ccc(Cl)s2)cc(OC)c1O.
What is the InChIKey of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
The InChIKey is VZGNXNFBXBGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-9(13-4-5-14(16)21-13)17-8-10-6-11(19-2)15(18)12(7-10)20-3/h4-7,9,17-18H,8H2,1-3H3.
What are the key properties of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol has a molecular weight of 327.83 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 43432574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).