N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine

C13H16N2OS — CID 43206293

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(C)c2cccs2)cn1
InChIInChI=1S/C13H16N2OS/c1-10(12-4-3-7-17-12)14-8-11-5-6-13(16-2)15-9-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyVBNNNFJQRLWEKT-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.00
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43206293) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43206293
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(C)c2cccs2)cn1
InChIInChI=1S/C13H16N2OS/c1-10(12-4-3-7-17-12)14-8-11-5-6-13(16-2)15-9-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyVBNNNFJQRLWEKT-UHFFFAOYSA-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

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine (CID 43206293) is N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine is COc1ccc(CNC(C)c2cccs2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is VBNNNFJQRLWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(12-4-3-7-17-12)14-8-11-5-6-13(16-2)15-9-11/h3-7,9-10,14H,8H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
N-[(6-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 N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43206293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).