N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline

C16H20N2OS — CID 648863

IUPACN-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline
SMILESCc1ccc(CNc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-13-2-7-16(20-13)12-17-14-3-5-15(6-4-14)18-8-10-19-11-9-18/h2-7,17H,8-12H2,1H3
InChIKeyYCUBHDYSYDELMF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.51
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline

N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline (PubChem CID 648863) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline
PubChem CID648863
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline
SMILESCc1ccc(CNc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-13-2-7-16(20-13)12-17-14-3-5-15(6-4-14)18-8-10-19-11-9-18/h2-7,17H,8-12H2,1H3
InChIKeyYCUBHDYSYDELMF-UHFFFAOYSA-N
XLogP3.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline (CID 648863) is N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline is Cc1ccc(CNc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is YCUBHDYSYDELMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-2-7-16(20-13)12-17-14-3-5-15(6-4-14)18-8-10-19-11-9-18/h2-7,17H,8-12H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline?
N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 288.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 648863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).