N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine

C14H17NS — CID 43287254

IUPACN-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(C)c2)s1
InChIInChI=1S/C14H17NS/c1-3-15-10-13-7-8-14(16-13)12-6-4-5-11(2)9-12/h4-9,15H,3,10H2,1-2H3
InChIKeyNOFHQXYASXHTOE-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.83
Rot. Bonds4

About N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 43287254) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID43287254
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(C)c2)s1
InChIInChI=1S/C14H17NS/c1-3-15-10-13-7-8-14(16-13)12-6-4-5-11(2)9-12/h4-9,15H,3,10H2,1-2H3
InChIKeyNOFHQXYASXHTOE-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine (CID 43287254) is N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(-c2cccc(C)c2)s1.
What is the InChIKey of N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is NOFHQXYASXHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-15-10-13-7-8-14(16-13)12-6-4-5-11(2)9-12/h4-9,15H,3,10H2,1-2H3.
What are the key properties of N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 43287254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).