N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine

C17H24N2S — CID 115464235

IUPACN-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
SMILESCNCCc1ccccc1CN(C)CCc1cccs1
InChIInChI=1S/C17H24N2S/c1-18-11-9-15-6-3-4-7-16(15)14-19(2)12-10-17-8-5-13-20-17/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyKHTYIAXNGYVADP-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.18
Rot. Bonds8

About N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine

N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine (PubChem CID 115464235) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
PubChem CID115464235
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
SMILESCNCCc1ccccc1CN(C)CCc1cccs1
InChIInChI=1S/C17H24N2S/c1-18-11-9-15-6-3-4-7-16(15)14-19(2)12-10-17-8-5-13-20-17/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyKHTYIAXNGYVADP-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine
CID 79494312
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556387
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556651
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
[4-methoxy-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]boronic acid
CID 79489171
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine (CID 115464235) is N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine is CNCCc1ccccc1CN(C)CCc1cccs1.
What is the InChIKey of N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine?
The InChIKey is KHTYIAXNGYVADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-18-11-9-15-6-3-4-7-16(15)14-19(2)12-10-17-8-5-13-20-17/h3-8,13,18H,9-12,14H2,1-2H3.
What are the key properties of N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine?
N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 115464235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).