N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine

C13H18N2S — CID 142969768

IUPACN-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine
SMILESCNCc1ccsc1.NCc1ccccc1
InChIInChI=1S/C7H9N.C6H9NS/c8-6-7-4-2-1-3-5-7;1-7-4-6-2-3-8-5-6/h1-5H,6,8H2;2-3,5,7H,4H2,1H3
InChIKeyXFRBUWJNBMPYJC-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.61
Rot. Bonds3

About N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine

N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine (PubChem CID 142969768) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine
PubChem CID142969768
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine
SMILESCNCc1ccsc1.NCc1ccccc1
InChIInChI=1S/C7H9N.C6H9NS/c8-6-7-4-2-1-3-5-7;1-7-4-6-2-3-8-5-6/h1-5H,6,8H2;2-3,5,7H,4H2,1H3
InChIKeyXFRBUWJNBMPYJC-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
N-phenylmethoxy-1-thiophen-3-ylmethanamine
CID 64974208
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
phenylmethanamine
CID 19864074
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
ethane;phenylmethanamine;vanadium
CID 158602574
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511
sodium phenylmethanamine
CID 172793696
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine?
The IUPAC name of N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine (CID 142969768) is N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine.
What is the SMILES notation for N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine?
The canonical SMILES for N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine is CNCc1ccsc1.NCc1ccccc1.
What is the InChIKey of N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine?
The InChIKey is XFRBUWJNBMPYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H9NS/c8-6-7-4-2-1-3-5-7;1-7-4-6-2-3-8-5-6/h1-5H,6,8H2;2-3,5,7H,4H2,1H3.
What are the key properties of N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine?
N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine has a molecular weight of 234.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine is sourced from PubChem (CID 142969768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).