N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine

C16H20N2OS — CID 82893056

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
SMILESCOc1cc(C)nc(CNCCSc2ccccc2)c1
InChIInChI=1S/C16H20N2OS/c1-13-10-15(19-2)11-14(18-13)12-17-8-9-20-16-6-4-3-5-7-16/h3-7,10-11,17H,8-9,12H2,1-2H3
InChIKeySCVIHOIDRCTTOP-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.28
Rot. Bonds7

About N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine (PubChem CID 82893056) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
PubChem CID82893056
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
SMILESCOc1cc(C)nc(CNCCSc2ccccc2)c1
InChIInChI=1S/C16H20N2OS/c1-13-10-15(19-2)11-14(18-13)12-17-8-9-20-16-6-4-3-5-7-16/h3-7,10-11,17H,8-9,12H2,1-2H3
InChIKeySCVIHOIDRCTTOP-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.28
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-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
CID 115924151
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-2-phenylethanol
CID 82893531
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
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]-2-thiophen-3-ylethanamine
CID 82892985
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylethanamine
CID 15326859

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine (CID 82893056) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine is COc1cc(C)nc(CNCCSc2ccccc2)c1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine?
The InChIKey is SCVIHOIDRCTTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-10-15(19-2)11-14(18-13)12-17-8-9-20-16-6-4-3-5-7-16/h3-7,10-11,17H,8-9,12H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.28, 7 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-phenylsulfanylethanamine is sourced from PubChem (CID 82893056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).