2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline

C17H22N2OS — CID 75385498

IUPAC2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESCc1ccc(CN2CCOCC2)cc1NCc1ccsc1
InChIInChI=1S/C17H22N2OS/c1-14-2-3-15(12-19-5-7-20-8-6-19)10-17(14)18-11-16-4-9-21-13-16/h2-4,9-10,13,18H,5-8,11-12H2,1H3
InChIKeySVBGVHBESDQVMA-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.50
Rot. Bonds5

About 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline

2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 75385498) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID75385498
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESCc1ccc(CN2CCOCC2)cc1NCc1ccsc1
InChIInChI=1S/C17H22N2OS/c1-14-2-3-15(12-19-5-7-20-8-6-19)10-17(14)18-11-16-4-9-21-13-16/h2-4,9-10,13,18H,5-8,11-12H2,1H3
InChIKeySVBGVHBESDQVMA-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline (CID 75385498) is 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline is Cc1ccc(CN2CCOCC2)cc1NCc1ccsc1.
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is SVBGVHBESDQVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-14-2-3-15(12-19-5-7-20-8-6-19)10-17(14)18-11-16-4-9-21-13-16/h2-4,9-10,13,18H,5-8,11-12H2,1H3.
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline?
2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 302.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 75385498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).