[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine

C15H19ClN2S — CID 80727351

IUPAC[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2S/c1-11-13(7-15(8-17)19-11)10-18(2)9-12-3-5-14(16)6-4-12/h3-7H,8-10,17H2,1-2H3
InChIKeyGSSJQAFZPJMRIL-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.80
Rot. Bonds5

About [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine

[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80727351) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80727351
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2S/c1-11-13(7-15(8-17)19-11)10-18(2)9-12-3-5-14(16)6-4-12/h3-7H,8-10,17H2,1-2H3
InChIKeyGSSJQAFZPJMRIL-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80728285
1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
CID 80728454
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 80728906
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine
CID 80727310
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728704
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 80720176
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727440
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 80664458

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine (CID 80727351) is [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine is Cc1sc(CN)cc1CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is GSSJQAFZPJMRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11-13(7-15(8-17)19-11)10-18(2)9-12-3-5-14(16)6-4-12/h3-7H,8-10,17H2,1-2H3.
What are the key properties of [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine?
[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 294.85 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80727351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).