N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine

C16H21NOS — CID 79802298

IUPACN-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1cscc1C
InChIInChI=1S/C16H21NOS/c1-4-17-16(15-11-19-10-12(15)2)9-13-6-5-7-14(8-13)18-3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyAFMUNUYPJJZMRB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine

N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 79802298) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID79802298
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1cscc1C
InChIInChI=1S/C16H21NOS/c1-4-17-16(15-11-19-10-12(15)2)9-13-6-5-7-14(8-13)18-3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyAFMUNUYPJJZMRB-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 61065390
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107503839
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 81316183
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61066458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine (CID 79802298) is N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine is CCNC(Cc1cccc(OC)c1)c1cscc1C.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is AFMUNUYPJJZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-17-16(15-11-19-10-12(15)2)9-13-6-5-7-14(8-13)18-3/h5-8,10-11,16-17H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 79802298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).