N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine

C15H15NS — CID 115866204

IUPACN-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
SMILESCC#CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H15NS/c1-2-3-9-16-11-15-10-14(12-17-15)13-7-5-4-6-8-13/h4-8,10,12,16H,9,11H2,1H3
InChIKeyOAZAPQBZSOSTHU-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.53
Rot. Bonds4

About N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine

N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine (PubChem CID 115866204) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
PubChem CID115866204
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC NameN-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
SMILESCC#CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H15NS/c1-2-3-9-16-11-15-10-14(12-17-15)13-7-5-4-6-8-13/h4-8,10,12,16H,9,11H2,1H3
InChIKeyOAZAPQBZSOSTHU-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61282967
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 61036692
ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
CID 54903997
2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 115632380
N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide
CID 54903925
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 103700656
4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
CID 115757939
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine?
The IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine (CID 115866204) is N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine.
What is the SMILES notation for N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine?
The canonical SMILES for N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine is CC#CCNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine?
The InChIKey is OAZAPQBZSOSTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-2-3-9-16-11-15-10-14(12-17-15)13-7-5-4-6-8-13/h4-8,10,12,16H,9,11H2,1H3.
What are the key properties of N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine?
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine has a molecular weight of 241.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine is sourced from PubChem (CID 115866204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).