N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine

C14H18N2OS — CID 82892985

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1cc(C)nc(CNCCc2ccsc2)c1
InChIInChI=1S/C14H18N2OS/c1-11-7-14(17-2)8-13(16-11)9-15-5-3-12-4-6-18-10-12/h4,6-8,10,15H,3,5,9H2,1-2H3
InChIKeyWVQRQQZRPCHBBN-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds6

About N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 82892985) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID82892985
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1cc(C)nc(CNCCc2ccsc2)c1
InChIInChI=1S/C14H18N2OS/c1-11-7-14(17-2)8-13(16-11)9-15-5-3-12-4-6-18-10-12/h4,6-8,10,15H,3,5,9H2,1-2H3
InChIKeyWVQRQQZRPCHBBN-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
N-[(3-methoxy-5-nitrophenyl)methyl]-2-thiophen-3-ylethanamine
CID 81150360
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811
(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
CID 115924151
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 82893056
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 82893914
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 113438737
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine (CID 82892985) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine is COc1cc(C)nc(CNCCc2ccsc2)c1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is WVQRQQZRPCHBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-7-14(17-2)8-13(16-11)9-15-5-3-12-4-6-18-10-12/h4,6-8,10,15H,3,5,9H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 82892985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).