N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine

C12H15Cl2NOS — CID 107968989

IUPACN-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-2-15-11(8-4-3-5-16-7-8)9-6-10(13)17-12(9)14/h6-7,11,15H,2-5H2,1H3
InChIKeyNAXMZXSBJMASEG-UHFFFAOYSA-N
MW292.23 g/mol
LogP4.40
Rot. Bonds4

About N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine

N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine (PubChem CID 107968989) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
PubChem CID107968989
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-2-15-11(8-4-3-5-16-7-8)9-6-10(13)17-12(9)14/h6-7,11,15H,2-5H2,1H3
InChIKeyNAXMZXSBJMASEG-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-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-[(4-chloro-2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105033083
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
N-[(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 114894935
N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 105033280
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
CID 113370642
N-[(2,5-dibromothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114022189
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65237651
N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179246
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine (CID 107968989) is N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine is CCNC(C1=COCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The InChIKey is NAXMZXSBJMASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c1-2-15-11(8-4-3-5-16-7-8)9-6-10(13)17-12(9)14/h6-7,11,15H,2-5H2,1H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine has a molecular weight of 292.23 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine is sourced from PubChem (CID 107968989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).