N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine

C13H16N2S — CID 62089613

IUPACN-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccccn1)c1ccsc1
InChIInChI=1S/C13H16N2S/c1-10(12-6-8-16-9-12)15-11(2)13-5-3-4-7-14-13/h3-11,15H,1-2H3
InChIKeyNDRKTCSFYNDNEB-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.55
Rot. Bonds4

About N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine

N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine (PubChem CID 62089613) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
PubChem CID62089613
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccccn1)c1ccsc1
InChIInChI=1S/C13H16N2S/c1-10(12-6-8-16-9-12)15-11(2)13-5-3-4-7-14-13/h3-11,15H,1-2H3
InChIKeyNDRKTCSFYNDNEB-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine (CID 62089613) is N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine is CC(NC(C)c1ccccn1)c1ccsc1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine?
The InChIKey is NDRKTCSFYNDNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(12-6-8-16-9-12)15-11(2)13-5-3-4-7-14-13/h3-11,15H,1-2H3.
What are the key properties of N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine?
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62089613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).