N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine

C16H21NS — CID 55082727

IUPACN-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
SMILESCNCC(Cc1ccsc1)Cc1cccc(C)c1
InChIInChI=1S/C16H21NS/c1-13-4-3-5-14(8-13)9-16(11-17-2)10-15-6-7-18-12-15/h3-8,12,16-17H,9-11H2,1-2H3
InChIKeyQELLNXWEFUOFPL-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.68
Rot. Bonds6

About N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine

N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine (PubChem CID 55082727) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
PubChem CID55082727
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
SMILESCNCC(Cc1ccsc1)Cc1cccc(C)c1
InChIInChI=1S/C16H21NS/c1-13-4-3-5-14(8-13)9-16(11-17-2)10-15-6-7-18-12-15/h3-8,12,16-17H,9-11H2,1-2H3
InChIKeyQELLNXWEFUOFPL-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine (CID 55082727) is N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine is CNCC(Cc1ccsc1)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
The InChIKey is QELLNXWEFUOFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-13-4-3-5-14(8-13)9-16(11-17-2)10-15-6-7-18-12-15/h3-8,12,16-17H,9-11H2,1-2H3.
What are the key properties of N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine?
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 55082727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).