[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride

C16H19ClN2O2S — CID 119308311

IUPAC[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCOC(c3cccs3)C2)cc1
InChIInChI=1S/C16H18N2O2S.ClH/c17-10-12-3-5-13(6-4-12)16(19)18-7-8-20-14(11-18)15-2-1-9-21-15;/h1-6,9,14H,7-8,10-11,17H2;1H
InChIKeySIKHTFGPVFYIII-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.84
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 119308311) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
PubChem CID119308311
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCOC(c3cccs3)C2)cc1
InChIInChI=1S/C16H18N2O2S.ClH/c17-10-12-3-5-13(6-4-12)16(19)18-7-8-20-14(11-18)15-2-1-9-21-15;/h1-6,9,14H,7-8,10-11,17H2;1H
InChIKeySIKHTFGPVFYIII-UHFFFAOYSA-N
XLogP2.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride 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

[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
CID 120590709
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757300
2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 120822318
(3-aminocyclopentyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757298
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
2-thiophen-2-ylmorpholin-4-amine
CID 82280994

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride (CID 119308311) is [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride is Cl.NCc1ccc(C(=O)N2CCOC(c3cccs3)C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is SIKHTFGPVFYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S.ClH/c17-10-12-3-5-13(6-4-12)16(19)18-7-8-20-14(11-18)15-2-1-9-21-15;/h1-6,9,14H,7-8,10-11,17H2;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119308311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).