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

C13H20ClNOS — CID 107360148

IUPACN-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1sccc1Cl
InChIInChI=1S/C13H20ClNOS/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3
InChIKeyBYAXPGKCZFUFSX-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.87
Rot. Bonds6

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

N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 107360148) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID107360148
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC NameN-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1sccc1Cl
InChIInChI=1S/C13H20ClNOS/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3
InChIKeyBYAXPGKCZFUFSX-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
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-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 114660266
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine (CID 107360148) is N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)c1sccc1Cl.
What is the InChIKey of N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is BYAXPGKCZFUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 273.83 g/mol, XLogP of 3.87, 6 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-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107360148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).