1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine

C16H21ClN2S — CID 80727440

IUPAC1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(CN(C)Cc2ccccc2Cl)c(C)s1
InChIInChI=1S/C16H21ClN2S/c1-12-14(8-15(20-12)9-18-2)11-19(3)10-13-6-4-5-7-16(13)17/h4-8,18H,9-11H2,1-3H3
InChIKeyJXPBWYBSHWIHNJ-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.06
Rot. Bonds6

About 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine

1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 80727440) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID80727440
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC Name1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(CN(C)Cc2ccccc2Cl)c(C)s1
InChIInChI=1S/C16H21ClN2S/c1-12-14(8-15(20-12)9-18-2)11-19(3)10-13-6-4-5-7-16(13)17/h4-8,18H,9-11H2,1-3H3
InChIKeyJXPBWYBSHWIHNJ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80727302
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727362
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727150
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884
N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80728304
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62135377

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine (CID 80727440) is 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(CN(C)Cc2ccccc2Cl)c(C)s1.
What is the InChIKey of 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is JXPBWYBSHWIHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-12-14(8-15(20-12)9-18-2)11-19(3)10-13-6-4-5-7-16(13)17/h4-8,18H,9-11H2,1-3H3.
What are the key properties of 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 308.88 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 80727440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).