N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

C16H22N2OS — CID 105027336

IUPACN-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC(C)C)c1)c1sccc1C
InChIInChI=1S/C16H22N2OS/c1-5-18-15(16-12(4)6-7-20-16)13-8-14(10-17-9-13)19-11(2)3/h6-11,15,18H,5H2,1-4H3
InChIKeyKWUBMXWJPXJOAE-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.94
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105027336) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
PubChem CID105027336
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC(C)C)c1)c1sccc1C
InChIInChI=1S/C16H22N2OS/c1-5-18-15(16-12(4)6-7-20-16)13-8-14(10-17-9-13)19-11(2)3/h6-11,15,18H,5H2,1-4H3
InChIKeyKWUBMXWJPXJOAE-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(5-ethylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027467
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
[(3-bromothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330543
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79972709
N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105176097
(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829414
N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 104851277
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (CID 105027336) is N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(OC(C)C)c1)c1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is KWUBMXWJPXJOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-18-15(16-12(4)6-7-20-16)13-8-14(10-17-9-13)19-11(2)3/h6-11,15,18H,5H2,1-4H3.
What are the key properties of N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105027336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).