N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline

C14H18N2S — CID 67733700

IUPACN-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
SMILESCNc1ccccc1C(NC)c1sccc1C
InChIInChI=1S/C14H18N2S/c1-10-8-9-17-14(10)13(16-3)11-6-4-5-7-12(11)15-2/h4-9,13,15-16H,1-3H3
InChIKeyJKKAOTCLWBYCSG-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.41
Rot. Bonds4

About N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline

N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline (PubChem CID 67733700) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
PubChem CID67733700
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
SMILESCNc1ccccc1C(NC)c1sccc1C
InChIInChI=1S/C14H18N2S/c1-10-8-9-17-14(10)13(16-3)11-6-4-5-7-12(11)15-2/h4-9,13,15-16H,1-3H3
InChIKeyJKKAOTCLWBYCSG-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166530
N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
CID 115604972
1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 82884048
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 55083404
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 81431713
N-methyl-1-(3-methylthiophen-2-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 61346189
[(2-methylsulfanylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322402
3-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 116951934
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 65237462

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline (CID 67733700) is N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline is CNc1ccccc1C(NC)c1sccc1C.
What is the InChIKey of N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline?
The InChIKey is JKKAOTCLWBYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-8-9-17-14(10)13(16-3)11-6-4-5-7-12(11)15-2/h4-9,13,15-16H,1-3H3.
What are the key properties of N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline?
N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline has a molecular weight of 246.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 67733700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).