1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine

C15H24ClNOS — CID 103168454

IUPAC1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC1CC(OCC)C1
InChIInChI=1S/C15H24ClNOS/c1-3-17-12(10-14-5-6-15(16)19-14)7-11-8-13(9-11)18-4-2/h5-6,11-13,17H,3-4,7-10H2,1-2H3
InChIKeyOYUKGZZAONHQOO-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.13
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine

1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (PubChem CID 103168454) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
PubChem CID103168454
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC1CC(OCC)C1
InChIInChI=1S/C15H24ClNOS/c1-3-17-12(10-14-5-6-15(16)19-14)7-11-8-13(9-11)18-4-2/h5-6,11-13,17H,3-4,7-10H2,1-2H3
InChIKeyOYUKGZZAONHQOO-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170459
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167780
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004297
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (CID 103168454) is 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)s1)CC1CC(OCC)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The InChIKey is OYUKGZZAONHQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-17-12(10-14-5-6-15(16)19-14)7-11-8-13(9-11)18-4-2/h5-6,11-13,17H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine has a molecular weight of 301.88 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 103168454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).