2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine

C18H23NOS — CID 78963178

IUPAC2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine
SMILESC=CCOc1ccccc1CNCC(C)(C)c1cccs1
InChIInChI=1S/C18H23NOS/c1-4-11-20-16-9-6-5-8-15(16)13-19-14-18(2,3)17-10-7-12-21-17/h4-10,12,19H,1,11,13-14H2,2-3H3
InChIKeyUWFQXGZPDABVGA-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.38
Rot. Bonds8

About 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine

2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine (PubChem CID 78963178) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine
PubChem CID78963178
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine
SMILESC=CCOc1ccccc1CNCC(C)(C)c1cccs1
InChIInChI=1S/C18H23NOS/c1-4-11-20-16-9-6-5-8-15(16)13-19-14-18(2,3)17-10-7-12-21-17/h4-10,12,19H,1,11,13-14H2,2-3H3
InChIKeyUWFQXGZPDABVGA-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.38
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

2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 115664554
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-ethyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 103702186
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111581863
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-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
CID 80526261
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine (CID 78963178) is 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine is C=CCOc1ccccc1CNCC(C)(C)c1cccs1.
What is the InChIKey of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine?
The InChIKey is UWFQXGZPDABVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-11-20-16-9-6-5-8-15(16)13-19-14-18(2,3)17-10-7-12-21-17/h4-10,12,19H,1,11,13-14H2,2-3H3.
What are the key properties of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 78963178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).