N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine

C14H18N2S — CID 114269412

IUPACN-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)n1)c1cccs1
InChIInChI=1S/C14H18N2S/c1-4-15-14(13-6-5-7-17-13)12-9-10(2)8-11(3)16-12/h5-9,14-15H,4H2,1-3H3
InChIKeyOFEMLCXTHOAHSH-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.46
Rot. Bonds4

About N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine

N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 114269412) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine
PubChem CID114269412
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)n1)c1cccs1
InChIInChI=1S/C14H18N2S/c1-4-15-14(13-6-5-7-17-13)12-9-10(2)8-11(3)16-12/h5-9,14-15H,4H2,1-3H3
InChIKeyOFEMLCXTHOAHSH-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105100554
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 54911205
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
CID 105100347
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
N-[(2-iodo-3-methylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114030052
N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
CID 105100657

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine (CID 114269412) is N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cc(C)cc(C)n1)c1cccs1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is OFEMLCXTHOAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-15-14(13-6-5-7-17-13)12-9-10(2)8-11(3)16-12/h5-9,14-15H,4H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine?
N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 114269412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).