3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline

C15H20N2S — CID 43383747

IUPAC3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
SMILESCCc1ccc(CN(C)Cc2cccc(N)c2)s1
InChIInChI=1S/C15H20N2S/c1-3-14-7-8-15(18-14)11-17(2)10-12-5-4-6-13(16)9-12/h4-9H,3,10-11,16H2,1-2H3
InChIKeyUORUCZMAEPIKPW-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.52
Rot. Bonds5

About 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline

3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline (PubChem CID 43383747) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
PubChem CID43383747
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
SMILESCCc1ccc(CN(C)Cc2cccc(N)c2)s1
InChIInChI=1S/C15H20N2S/c1-3-14-7-8-15(18-14)11-17(2)10-12-5-4-6-13(16)9-12/h4-9H,3,10-11,16H2,1-2H3
InChIKeyUORUCZMAEPIKPW-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
CID 106012145
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 43373764
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207
4-[[(3-aminophenyl)methyl-methylamino]methyl]benzonitrile
CID 43457946
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
3-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]aniline
CID 115212023
3-[[1,3-benzoxazol-6-ylmethyl(methyl)amino]methyl]aniline
CID 115211956
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline?
The IUPAC name of 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline (CID 43383747) is 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline is CCc1ccc(CN(C)Cc2cccc(N)c2)s1.
What is the InChIKey of 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline?
The InChIKey is UORUCZMAEPIKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-14-7-8-15(18-14)11-17(2)10-12-5-4-6-13(16)9-12/h4-9H,3,10-11,16H2,1-2H3.
What are the key properties of 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline?
3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 43383747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).