N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine

C14H13Cl4NS — CID 43497805

IUPACN-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H13Cl4NS/c1-2-3-19-13(11-7-12(17)20-14(11)18)8-4-9(15)6-10(16)5-8/h4-7,13,19H,2-3H2,1H3
InChIKeyZPQAZKCCVFLNQT-UHFFFAOYSA-N
MW369.14 g/mol
LogP6.45
Rot. Bonds5

About N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine

N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (PubChem CID 43497805) has the molecular formula C14H13Cl4NS and a molecular weight of 369.14 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
PubChem CID43497805
Molecular FormulaC14H13Cl4NS
Molecular Weight369.14 g/mol
Exact Mass366.95
IUPAC NameN-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H13Cl4NS/c1-2-3-19-13(11-7-12(17)20-14(11)18)8-4-9(15)6-10(16)5-8/h4-7,13,19H,2-3H2,1H3
InChIKeyZPQAZKCCVFLNQT-UHFFFAOYSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.14
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497750
N-[(2,5-dichlorothiophen-3-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820113
N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 114021153
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(2,5-dichlorothiophen-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 107968400
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 43497806
N-[(4-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 107968705
N-[(5-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497754
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
CID 43497732
N-[(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107968268

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (CID 43497805) is N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The InChIKey is ZPQAZKCCVFLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl4NS/c1-2-3-19-13(11-7-12(17)20-14(11)18)8-4-9(15)6-10(16)5-8/h4-7,13,19H,2-3H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine has a molecular weight of 369.14 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).