2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C15H19NOS — CID 17206586

IUPAC2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccc(C)s1
InChIInChI=1S/C15H19NOS/c1-12-7-8-14(18-12)11-16-10-9-13-5-3-4-6-15(13)17-2/h3-8,16H,9-11H2,1-2H3
InChIKeyPBQFSLCDFNBOCZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.40
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 17206586) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID17206586
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccc(C)s1
InChIInChI=1S/C15H19NOS/c1-12-7-8-14(18-12)11-16-10-9-13-5-3-4-6-15(13)17-2/h3-8,16H,9-11H2,1-2H3
InChIKeyPBQFSLCDFNBOCZ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 8851253
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 106259683
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 107165782
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2996929
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 17206586) is 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is COc1ccccc1CCNCc1ccc(C)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is PBQFSLCDFNBOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-7-8-14(18-12)11-16-10-9-13-5-3-4-6-15(13)17-2/h3-8,16H,9-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 17206586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).