2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C16H21NOS — CID 60664869

IUPAC2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(OCCNCc2sccc2C)c(C)c1
InChIInChI=1S/C16H21NOS/c1-12-4-5-15(14(3)10-12)18-8-7-17-11-16-13(2)6-9-19-16/h4-6,9-10,17H,7-8,11H2,1-3H3
InChIKeyAPCVAWZGHBGTMI-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.84
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 60664869) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID60664869
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(OCCNCc2sccc2C)c(C)c1
InChIInChI=1S/C16H21NOS/c1-12-4-5-15(14(3)10-12)18-8-7-17-11-16-13(2)6-9-19-16/h4-6,9-10,17H,7-8,11H2,1-3H3
InChIKeyAPCVAWZGHBGTMI-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63273329
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63515590
N-[(4-bromothiophen-2-yl)methyl]-2-(2,4-dimethylphenoxy)ethanamine
CID 60664796
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989
2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63505783
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39358243
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107668633

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 60664869) is 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(OCCNCc2sccc2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is APCVAWZGHBGTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-4-5-15(14(3)10-12)18-8-7-17-11-16-13(2)6-9-19-16/h4-6,9-10,17H,7-8,11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 60664869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).