N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine

C16H19NOS — CID 60776676

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccccc1CNCc1ccc(C)s1
InChIInChI=1S/C16H19NOS/c1-3-10-18-16-7-5-4-6-14(16)11-17-12-15-9-8-13(2)19-15/h3-9,17H,1,10-12H2,2H3
InChIKeyAECAGHBEPUEWEK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.91
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine

N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine (PubChem CID 60776676) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
PubChem CID60776676
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccccc1CNCc1ccc(C)s1
InChIInChI=1S/C16H19NOS/c1-3-10-18-16-7-5-4-6-14(16)11-17-12-15-9-8-13(2)19-15/h3-9,17H,1,10-12H2,2H3
InChIKeyAECAGHBEPUEWEK-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 63379238
1-(2-prop-2-enoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78989678

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine (CID 60776676) is N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine is C=CCOc1ccccc1CNCc1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The InChIKey is AECAGHBEPUEWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-10-18-16-7-5-4-6-14(16)11-17-12-15-9-8-13(2)19-15/h3-9,17H,1,10-12H2,2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 60776676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).