2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine

C16H21NOS — CID 106791616

IUPAC2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C)cc2OC)s1
InChIInChI=1S/C16H21NOS/c1-4-12-6-7-13(19-12)10-15(17)14-8-5-11(2)9-16(14)18-3/h5-9,15H,4,10,17H2,1-3H3
InChIKeyKLHHNEGBVZJLKH-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.87
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine

2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106791616) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106791616
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C)cc2OC)s1
InChIInChI=1S/C16H21NOS/c1-4-12-6-7-13(19-12)10-15(17)14-8-5-11(2)9-16(14)18-3/h5-9,15H,4,10,17H2,1-3H3
InChIKeyKLHHNEGBVZJLKH-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115842503
2-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791252
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101
2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791515
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842771
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791130
1-(2-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 106791601
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105135936
2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790809
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106791616) is 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine is CCc1ccc(CC(N)c2ccc(C)cc2OC)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is KLHHNEGBVZJLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-12-6-7-13(19-12)10-15(17)14-8-5-11(2)9-16(14)18-3/h5-9,15H,4,10,17H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106791616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).