N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine

C15H20N2OS — CID 43534519

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1c(C)cnc(CNC(C)c2cccs2)c1C
InChIInChI=1S/C15H20N2OS/c1-10-8-17-13(11(2)15(10)18-4)9-16-12(3)14-6-5-7-19-14/h5-8,12,16H,9H2,1-4H3
InChIKeyCTCWFKGBKNIPGF-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.62
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43534519) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43534519
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1c(C)cnc(CNC(C)c2cccs2)c1C
InChIInChI=1S/C15H20N2OS/c1-10-8-17-13(11(2)15(10)18-4)9-16-12(3)14-6-5-7-19-14/h5-8,12,16H,9H2,1-4H3
InChIKeyCTCWFKGBKNIPGF-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 81406746
(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81352653
(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81381748
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
CID 63011439
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-2-amine
CID 83188547
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949908
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine (CID 43534519) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine is COc1c(C)cnc(CNC(C)c2cccs2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is CTCWFKGBKNIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-8-17-13(11(2)15(10)18-4)9-16-12(3)14-6-5-7-19-14/h5-8,12,16H,9H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43534519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).