4-[2-(thiophen-2-ylmethylamino)ethyl]aniline

C13H16N2S — CID 61150605

IUPAC4-[2-(thiophen-2-ylmethylamino)ethyl]aniline
SMILESNc1ccc(CCNCc2cccs2)cc1
InChIInChI=1S/C13H16N2S/c14-12-5-3-11(4-6-12)7-8-15-10-13-2-1-9-16-13/h1-6,9,15H,7-8,10,14H2
InChIKeyRCMAAQZLYNYNNR-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.66
Rot. Bonds5

About 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline

4-[2-(thiophen-2-ylmethylamino)ethyl]aniline (PubChem CID 61150605) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(thiophen-2-ylmethylamino)ethyl]aniline
PubChem CID61150605
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-[2-(thiophen-2-ylmethylamino)ethyl]aniline
SMILESNc1ccc(CCNCc2cccs2)cc1
InChIInChI=1S/C13H16N2S/c14-12-5-3-11(4-6-12)7-8-15-10-13-2-1-9-16-13/h1-6,9,15H,7-8,10,14H2
InChIKeyRCMAAQZLYNYNNR-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline
CID 112558033
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 65244071
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline?
The IUPAC name of 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline (CID 61150605) is 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline.
What is the SMILES notation for 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline?
The canonical SMILES for 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline is Nc1ccc(CCNCc2cccs2)cc1.
What is the InChIKey of 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline?
The InChIKey is RCMAAQZLYNYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c14-12-5-3-11(4-6-12)7-8-15-10-13-2-1-9-16-13/h1-6,9,15H,7-8,10,14H2.
What are the key properties of 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline?
4-[2-(thiophen-2-ylmethylamino)ethyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophen-2-ylmethylamino)ethyl]aniline is sourced from PubChem (CID 61150605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).