N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

C16H20N2OS — CID 60858838

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOc1ncccc1CNC(C)c1ccc(SC)cc1
InChIInChI=1S/C16H20N2OS/c1-12(13-6-8-15(20-3)9-7-13)18-11-14-5-4-10-17-16(14)19-2/h4-10,12,18H,11H2,1-3H3
InChIKeyJXUNXCXZLKEQEO-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.66
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 60858838) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID60858838
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOc1ncccc1CNC(C)c1ccc(SC)cc1
InChIInChI=1S/C16H20N2OS/c1-12(13-6-8-15(20-3)9-7-13)18-11-14-5-4-10-17-16(14)19-2/h4-10,12,18H,11H2,1-3H3
InChIKeyJXUNXCXZLKEQEO-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
CID 60857683
(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
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 83118259
1-(4-chlorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61372938
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (CID 60858838) is N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is COc1ncccc1CNC(C)c1ccc(SC)cc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is JXUNXCXZLKEQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(13-6-8-15(20-3)9-7-13)18-11-14-5-4-10-17-16(14)19-2/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 60858838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).