N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine

C15H24ClNOS — CID 103163244

IUPACN-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)c1sccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-3-6-17-14(15-13(16)5-7-19-15)10-11-8-12(9-11)18-4-2/h5,7,11-12,14,17H,3-4,6,8-10H2,1-2H3
InChIKeyLRYKESOOGCDBME-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.65
Rot. Bonds8

About N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine

N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103163244) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103163244
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC NameN-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)c1sccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-3-6-17-14(15-13(16)5-7-19-15)10-11-8-12(9-11)18-4-2/h5,7,11-12,14,17H,3-4,6,8-10H2,1-2H3
InChIKeyLRYKESOOGCDBME-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 103168245
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163194

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (CID 103163244) is N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1CC(OCC)C1)c1sccc1Cl.
What is the InChIKey of N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is LRYKESOOGCDBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-6-17-14(15-13(16)5-7-19-15)10-11-8-12(9-11)18-4-2/h5,7,11-12,14,17H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 301.88 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103163244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).