(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C16H20ClNO3S — CID 94114613

IUPAC(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(Cl)s2)c(OC)c1OC
InChIInChI=1S/C16H20ClNO3S/c1-10(13-7-8-14(17)22-13)18-9-11-5-6-12(19-2)16(21-4)15(11)20-3/h5-8,10,18H,9H2,1-4H3/t10-/m1/s1
InChIKeyLAOHZYIPHZJICH-SNVBAGLBSA-N
MW341.86 g/mol
LogP4.28
Rot. Bonds7

About (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 94114613) has the molecular formula C16H20ClNO3S and a molecular weight of 341.86 g/mol. Its IUPAC name is (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID94114613
Molecular FormulaC16H20ClNO3S
Molecular Weight341.86 g/mol
Exact Mass341.09
IUPAC Name(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(Cl)s2)c(OC)c1OC
InChIInChI=1S/C16H20ClNO3S/c1-10(13-7-8-14(17)22-13)18-9-11-5-6-12(19-2)16(21-4)15(11)20-3/h5-8,10,18H,9H2,1-4H3/t10-/m1/s1
InChIKeyLAOHZYIPHZJICH-SNVBAGLBSA-N
XLogP4.28
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47027581
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
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43432626
(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 30620479
1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008256
1-(5-chlorothiophen-2-yl)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]ethanamine
CID 43612762
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
1-(2,5-dimethylthiophen-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 86931333
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
CID 43438932

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 94114613) is (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is COc1ccc(CN[C@H](C)c2ccc(Cl)s2)c(OC)c1OC.
What is the InChIKey of (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is LAOHZYIPHZJICH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20ClNO3S/c1-10(13-7-8-14(17)22-13)18-9-11-5-6-12(19-2)16(21-4)15(11)20-3/h5-8,10,18H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 341.86 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 94114613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).