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

C16H21NOS — CID 8851253

IUPAC2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccc(C)cc1CCNCc1ccc(C)s1
InChIInChI=1S/C16H21NOS/c1-12-4-7-16(18-3)14(10-12)8-9-17-11-15-6-5-13(2)19-15/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeyDPSIDMBJCJODHS-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.71
Rot. Bonds6

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

2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 8851253) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID8851253
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccc(C)cc1CCNCc1ccc(C)s1
InChIInChI=1S/C16H21NOS/c1-12-4-7-16(18-3)14(10-12)8-9-17-11-15-6-5-13(2)19-15/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeyDPSIDMBJCJODHS-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.71
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-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
2-(2-methoxy-5-methylphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]azanium
CID 8851252
2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41309125
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668644
N-[(5-phenylthiophen-2-yl)methyl]-2-(2,4,5-trimethoxyphenyl)ethanamine
CID 166130338
methyl 3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoate
CID 115232481
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid
CID 115240818
3-hydroxy-4-[2-(2-methoxy-5-methylphenyl)ethylamino]butanoic acid
CID 115123097

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 8851253) is 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is COc1ccc(C)cc1CCNCc1ccc(C)s1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is DPSIDMBJCJODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-4-7-16(18-3)14(10-12)8-9-17-11-15-6-5-13(2)19-15/h4-7,10,17H,8-9,11H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 8851253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).