N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine

C15H24ClNOS — CID 80684177

IUPACN-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1
InChIInChI=1S/C15H24ClNOS/c1-3-9-17-13(11-12-6-7-14(16)19-12)15(2)8-4-5-10-18-15/h6-7,13,17H,3-5,8-11H2,1-2H3
InChIKeyXCXDPSHWXQIRJL-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine

N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine (PubChem CID 80684177) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
PubChem CID80684177
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1
InChIInChI=1S/C15H24ClNOS/c1-3-9-17-13(11-12-6-7-14(16)19-12)15(2)8-4-5-10-18-15/h6-7,13,17H,3-5,8-11H2,1-2H3
InChIKeyXCXDPSHWXQIRJL-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine (CID 80684177) is N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The InChIKey is XCXDPSHWXQIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-9-17-13(11-12-6-7-14(16)19-12)15(2)8-4-5-10-18-15/h6-7,13,17H,3-5,8-11H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine has a molecular weight of 301.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80684177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).