N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine

C17H23NOS — CID 102834050

IUPACN-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C(OC)c1ccccc1
InChIInChI=1S/C17H23NOS/c1-4-11-18-16(15-10-12-20-13(15)2)17(19-3)14-8-6-5-7-9-14/h5-10,12,16-18H,4,11H2,1-3H3
InChIKeySQTRUSPQMSNHNE-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.48
Rot. Bonds7

About N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine

N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine (PubChem CID 102834050) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine
PubChem CID102834050
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C(OC)c1ccccc1
InChIInChI=1S/C17H23NOS/c1-4-11-18-16(15-10-12-20-13(15)2)17(19-3)14-8-6-5-7-9-14/h5-10,12,16-18H,4,11H2,1-3H3
InChIKeySQTRUSPQMSNHNE-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine (CID 102834050) is N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine is CCCNC(c1ccsc1C)C(OC)c1ccccc1.
What is the InChIKey of N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is SQTRUSPQMSNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-11-18-16(15-10-12-20-13(15)2)17(19-3)14-8-6-5-7-9-14/h5-10,12,16-18H,4,11H2,1-3H3.
What are the key properties of N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine?
N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 102834050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).