4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline

C17H22N2OS — CID 62089964

IUPAC4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccc(CN2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-14(16-6-11-21-13-16)18-17-4-2-15(3-5-17)12-19-7-9-20-10-8-19/h2-6,11,13-14,18H,7-10,12H2,1H3
InChIKeyYKMLUPLKGAIMPS-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.75
Rot. Bonds5

About 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline

4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62089964) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62089964
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccc(CN2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-14(16-6-11-21-13-16)18-17-4-2-15(3-5-17)12-19-7-9-20-10-8-19/h2-6,11,13-14,18H,7-10,12H2,1H3
InChIKeyYKMLUPLKGAIMPS-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline (CID 62089964) is 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline is CC(Nc1ccc(CN2CCOCC2)cc1)c1ccsc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is YKMLUPLKGAIMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-14(16-6-11-21-13-16)18-17-4-2-15(3-5-17)12-19-7-9-20-10-8-19/h2-6,11,13-14,18H,7-10,12H2,1H3.
What are the key properties of 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline?
4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 302.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62089964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).