N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

C16H21NOS — CID 79989146

IUPACN-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-4-17-15(16-12(3)9-10-19-16)13-7-6-8-14(11-13)18-5-2/h6-11,15,17H,4-5H2,1-3H3
InChIKeyYEUWTMBPZKOKGP-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds6

About N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 79989146) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID79989146
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-4-17-15(16-12(3)9-10-19-16)13-7-6-8-14(11-13)18-5-2/h6-11,15,17H,4-5H2,1-3H3
InChIKeyYEUWTMBPZKOKGP-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (CID 79989146) is N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)c1sccc1C.
What is the InChIKey of N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is YEUWTMBPZKOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-17-15(16-12(3)9-10-19-16)13-7-6-8-14(11-13)18-5-2/h6-11,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 79989146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).