(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine

C13H16N2OS — CID 81408582

IUPAC(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ncccc1CN[C@H](C)c1cccs1
InChIInChI=1S/C13H16N2OS/c1-10(12-6-4-8-17-12)15-9-11-5-3-7-14-13(11)16-2/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1
InChIKeyULDQBPZPFOUXOX-SNVBAGLBSA-N
MW248.35 g/mol
LogP3.00
Rot. Bonds5

About (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine

(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81408582) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81408582
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ncccc1CN[C@H](C)c1cccs1
InChIInChI=1S/C13H16N2OS/c1-10(12-6-4-8-17-12)15-9-11-5-3-7-14-13(11)16-2/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1
InChIKeyULDQBPZPFOUXOX-SNVBAGLBSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine (CID 81408582) is (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine is COc1ncccc1CN[C@H](C)c1cccs1.
What is the InChIKey of (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ULDQBPZPFOUXOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(12-6-4-8-17-12)15-9-11-5-3-7-14-13(11)16-2/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 248.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81408582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).