N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine

C24H29NO2S — CID 24936092

IUPACN,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C(c2cccc(OC)c2)c2cccs2)cc1
InChIInChI=1S/C24H29NO2S/c1-4-25(5-2)15-16-27-21-13-11-19(12-14-21)24(23-10-7-17-28-23)20-8-6-9-22(18-20)26-3/h6-14,17-18,24H,4-5,15-16H2,1-3H3
InChIKeyKXABJSSKVCCJRB-UHFFFAOYSA-N
MW395.57 g/mol
LogP5.66
Rot. Bonds10

About N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine

N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine (PubChem CID 24936092) has the molecular formula C24H29NO2S and a molecular weight of 395.57 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
PubChem CID24936092
Molecular FormulaC24H29NO2S
Molecular Weight395.57 g/mol
Exact Mass395.19
IUPAC NameN,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C(c2cccc(OC)c2)c2cccs2)cc1
InChIInChI=1S/C24H29NO2S/c1-4-25(5-2)15-16-27-21-13-11-19(12-14-21)24(23-10-7-17-28-23)20-8-6-9-22(18-20)26-3/h6-14,17-18,24H,4-5,15-16H2,1-3H3
InChIKeyKXABJSSKVCCJRB-UHFFFAOYSA-N
XLogP5.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-2-((4-(4-(thiophen-3-yl)phenoxy)phenoxy)methyl)piperidine
CID 46888240
(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine
CID 9818212
4-[2-[4-[2-(3-Methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]morpholine
CID 44202270
3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 9863103
3-{Methyl-[3-(4-thiophen-2-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 9950170
1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10708447
{Methyl-[2-(3-thiophen-2-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 11405950
{Methyl-[2-(3-thiophen-3-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 44444276
1-[2-[4-[2-(3-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine
CID 44202271
2-[4-[2-(3-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine
CID 44202272
2-[4-[2-(4-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine
CID 44202275
1-[2-(5-Benzyl-thiophen-2-yloxy)-ethyl]-pyrrolidine
CID 10708448

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine (CID 24936092) is N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine is CCN(CC)CCOc1ccc(C(c2cccc(OC)c2)c2cccs2)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine?
The InChIKey is KXABJSSKVCCJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2S/c1-4-25(5-2)15-16-27-21-13-11-19(12-14-21)24(23-10-7-17-28-23)20-8-6-9-22(18-20)26-3/h6-14,17-18,24H,4-5,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine?
N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine has a molecular weight of 395.57 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine is sourced from PubChem (CID 24936092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).