N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine

C16H22N2S — CID 62429055

IUPACN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
SMILESCNCc1ccc(CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-13(16-5-4-10-19-16)18(3)12-15-8-6-14(7-9-15)11-17-2/h4-10,13,17H,11-12H2,1-3H3
InChIKeyDPZDBWZYUATQNS-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.66
Rot. Bonds6

About N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine (PubChem CID 62429055) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
PubChem CID62429055
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
SMILESCNCc1ccc(CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-13(16-5-4-10-19-16)18(3)12-15-8-6-14(7-9-15)11-17-2/h4-10,13,17H,11-12H2,1-3H3
InChIKeyDPZDBWZYUATQNS-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
2-chloro-N-methyl-4-(methylaminomethyl)-N-(1-thiophen-2-ylethyl)aniline
CID 81149666
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine (CID 62429055) is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine is CNCc1ccc(CN(C)C(C)c2cccs2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine?
The InChIKey is DPZDBWZYUATQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(16-5-4-10-19-16)18(3)12-15-8-6-14(7-9-15)11-17-2/h4-10,13,17H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine?
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62429055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).