N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine

C17H20Cl2N2OS — CID 110826727

IUPACN-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESClc1ccc(CNCC(c2cccs2)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2OS/c18-14-4-3-13(15(19)10-14)11-20-12-16(17-2-1-9-23-17)21-5-7-22-8-6-21/h1-4,9-10,16,20H,5-8,11-12H2
InChIKeyKLHUTMGONLGBDJ-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.22
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine

N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine (PubChem CID 110826727) has the molecular formula C17H20Cl2N2OS and a molecular weight of 371.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
PubChem CID110826727
Molecular FormulaC17H20Cl2N2OS
Molecular Weight371.33 g/mol
Exact Mass370.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESClc1ccc(CNCC(c2cccs2)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2OS/c18-14-4-3-13(15(19)10-14)11-20-12-16(17-2-1-9-23-17)21-5-7-22-8-6-21/h1-4,9-10,16,20H,5-8,11-12H2
InChIKeyKLHUTMGONLGBDJ-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine 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-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
CID 112770369
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide
CID 17483110
6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9265997
3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835865
6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine
CID 138988712
1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one
CID 84967087
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide
CID 30961227
1-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283893
3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-en-1-amine
CID 119160583

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine (CID 110826727) is N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine is Clc1ccc(CNCC(c2cccs2)N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The InChIKey is KLHUTMGONLGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2OS/c18-14-4-3-13(15(19)10-14)11-20-12-16(17-2-1-9-23-17)21-5-7-22-8-6-21/h1-4,9-10,16,20H,5-8,11-12H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine has a molecular weight of 371.33 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 110826727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).