N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine

C13H20Cl2N2OS — CID 103775397

IUPACN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H20Cl2N2OS/c1-10(11-9-12(14)19-13(11)15)16-3-2-4-17-5-7-18-8-6-17/h9-10,16H,2-8H2,1H3
InChIKeyKWADTLZCKACCPJ-UHFFFAOYSA-N
MW323.29 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 103775397) has the molecular formula C13H20Cl2N2OS and a molecular weight of 323.29 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID103775397
Molecular FormulaC13H20Cl2N2OS
Molecular Weight323.29 g/mol
Exact Mass322.07
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H20Cl2N2OS/c1-10(11-9-12(14)19-13(11)15)16-3-2-4-17-5-7-18-8-6-17/h9-10,16H,2-8H2,1H3
InChIKeyKWADTLZCKACCPJ-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 43195502
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine (CID 103775397) is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine is CC(NCCCN1CCOCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is KWADTLZCKACCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2OS/c1-10(11-9-12(14)19-13(11)15)16-3-2-4-17-5-7-18-8-6-17/h9-10,16H,2-8H2,1H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 323.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 103775397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).