(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine

C13H16N2S — CID 28644855

IUPAC(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc(CN[C@H](C)c2ccncc2)s1
InChIInChI=1S/C13H16N2S/c1-10-3-4-13(16-10)9-15-11(2)12-5-7-14-8-6-12/h3-8,11,15H,9H2,1-2H3/t11-/m1/s1
InChIKeyQBLOEQWJSUUGCN-LLVKDONJSA-N
MW232.35 g/mol
LogP3.30
Rot. Bonds4

About (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 28644855) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID28644855
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc(CN[C@H](C)c2ccncc2)s1
InChIInChI=1S/C13H16N2S/c1-10-3-4-13(16-10)9-15-11(2)12-5-7-14-8-6-12/h3-8,11,15H,9H2,1-2H3/t11-/m1/s1
InChIKeyQBLOEQWJSUUGCN-LLVKDONJSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 60664173
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258908
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82886056
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43078567
(1S)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 102836876
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine (CID 28644855) is (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine is Cc1ccc(CN[C@H](C)c2ccncc2)s1.
What is the InChIKey of (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is QBLOEQWJSUUGCN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-3-4-13(16-10)9-15-11(2)12-5-7-14-8-6-12/h3-8,11,15H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 28644855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).