2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

C17H22N2OS — CID 43222862

IUPAC2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESc1ccc(-c2ccc(CNCCN3CCOCC3)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-4-15(5-3-1)17-7-6-16(21-17)14-18-8-9-19-10-12-20-13-11-19/h1-7,18H,8-14H2
InChIKeyJSIFNUXCRSZCKP-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.84
Rot. Bonds6

About 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 43222862) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID43222862
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESc1ccc(-c2ccc(CNCCN3CCOCC3)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-4-15(5-3-1)17-7-6-16(21-17)14-18-8-9-19-10-12-20-13-11-19/h1-7,18H,8-14H2
InChIKeyJSIFNUXCRSZCKP-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43224626
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile
CID 115675326
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114304

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (CID 43222862) is 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is c1ccc(-c2ccc(CNCCN3CCOCC3)s2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is JSIFNUXCRSZCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-4-15(5-3-1)17-7-6-16(21-17)14-18-8-9-19-10-12-20-13-11-19/h1-7,18H,8-14H2.
What are the key properties of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 302.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43222862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).