4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline

C14H18N2S — CID 43458870

IUPAC4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)Cc1cccs1
InChIInChI=1S/C14H18N2S/c1-2-16(11-14-4-3-9-17-14)10-12-5-7-13(15)8-6-12/h3-9H,2,10-11,15H2,1H3
InChIKeyPZULGENCOMTZND-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.35
Rot. Bonds5

About 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline

4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline (PubChem CID 43458870) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
PubChem CID43458870
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)Cc1cccs1
InChIInChI=1S/C14H18N2S/c1-2-16(11-14-4-3-9-17-14)10-12-5-7-13(15)8-6-12/h3-9H,2,10-11,15H2,1H3
InChIKeyPZULGENCOMTZND-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
CID 80556236
1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 61114484
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 63331319
2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
CID 61439178
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-2-amine;hydrochloride
CID 75509584

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline (CID 43458870) is 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline is CCN(Cc1ccc(N)cc1)Cc1cccs1.
What is the InChIKey of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline?
The InChIKey is PZULGENCOMTZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-16(11-14-4-3-9-17-14)10-12-5-7-13(15)8-6-12/h3-9H,2,10-11,15H2,1H3.
What are the key properties of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline?
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline has a molecular weight of 246.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43458870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).