2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine

C18H26N2S — CID 62422105

IUPAC2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCN(Cc1ccsc1)Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C18H26N2S/c1-18(2,3)19-11-15-6-5-7-16(10-15)12-20(4)13-17-8-9-21-14-17/h5-10,14,19H,11-13H2,1-4H3
InChIKeyRUTJSEKGPLFKFN-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.27
Rot. Bonds6

About 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine

2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine (PubChem CID 62422105) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
PubChem CID62422105
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCN(Cc1ccsc1)Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C18H26N2S/c1-18(2,3)19-11-15-6-5-7-16(10-15)12-20(4)13-17-8-9-21-14-17/h5-10,14,19H,11-13H2,1-4H3
InChIKeyRUTJSEKGPLFKFN-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62421924
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62418750
N'-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725996
4-[(tert-butylamino)methyl]-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 81146499
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 66452759
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 43530781

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine (CID 62422105) is 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine is CN(Cc1ccsc1)Cc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is RUTJSEKGPLFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-18(2,3)19-11-15-6-5-7-16(10-15)12-20(4)13-17-8-9-21-14-17/h5-10,14,19H,11-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62422105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).