(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C13H17NOS2 — CID 97228607

IUPAC(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(C)s2)s1
InChIInChI=1S/C13H17NOS2/c1-9-4-6-12(16-9)10(2)14-8-11-5-7-13(15-3)17-11/h4-7,10,14H,8H2,1-3H3/t10-/m1/s1
InChIKeyGIKXYOPWYYGJGP-SNVBAGLBSA-N
MW267.42 g/mol
LogP3.98
Rot. Bonds5

About (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 97228607) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID97228607
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(C)s2)s1
InChIInChI=1S/C13H17NOS2/c1-9-4-6-12(16-9)10(2)14-8-11-5-7-13(15-3)17-11/h4-7,10,14H,8H2,1-3H3/t10-/m1/s1
InChIKeyGIKXYOPWYYGJGP-SNVBAGLBSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 79419831
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 61473078
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 28612946
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 115600765

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 97228607) is (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is COc1ccc(CN[C@H](C)c2ccc(C)s2)s1.
What is the InChIKey of (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is GIKXYOPWYYGJGP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-9-4-6-12(16-9)10(2)14-8-11-5-7-13(15-3)17-11/h4-7,10,14H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 267.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 97228607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).