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

C16H21NS — CID 43287164

IUPACN-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(C(C)C)c2)s1
InChIInChI=1S/C16H21NS/c1-4-17-11-15-8-9-16(18-15)14-7-5-6-13(10-14)12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyNDJJNODJQZZPIN-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.65
Rot. Bonds5

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

N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 43287164) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID43287164
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(C(C)C)c2)s1
InChIInChI=1S/C16H21NS/c1-4-17-11-15-8-9-16(18-15)14-7-5-6-13(10-14)12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyNDJJNODJQZZPIN-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine (CID 43287164) is N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(-c2cccc(C(C)C)c2)s1.
What is the InChIKey of N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is NDJJNODJQZZPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-17-11-15-8-9-16(18-15)14-7-5-6-13(10-14)12(2)3/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 43287164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).