1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine

C13H12Cl3NS — CID 43432651

IUPAC1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Cl)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl3NS/c1-8(11-5-6-12(15)18-11)17-7-9-3-2-4-10(14)13(9)16/h2-6,8,17H,7H2,1H3
InChIKeyUUFUOMLYKLUGKR-UHFFFAOYSA-N
MW320.67 g/mol
LogP5.56
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 43432651) has the molecular formula C13H12Cl3NS and a molecular weight of 320.67 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID43432651
Molecular FormulaC13H12Cl3NS
Molecular Weight320.67 g/mol
Exact Mass318.98
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Cl)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl3NS/c1-8(11-5-6-12(15)18-11)17-7-9-3-2-4-10(14)13(9)16/h2-6,8,17H,7H2,1H3
InChIKeyUUFUOMLYKLUGKR-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.67
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
1-(5-chlorothiophen-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 61469476
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
1-(5-chlorothiophen-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 43432624
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550
1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43677459
N-[(6-bromo-2-pyridinyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 112582004
1-chloro-N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 107310019
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine (CID 43432651) is 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine is CC(NCc1cccc(Cl)c1Cl)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is UUFUOMLYKLUGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NS/c1-8(11-5-6-12(15)18-11)17-7-9-3-2-4-10(14)13(9)16/h2-6,8,17H,7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine has a molecular weight of 320.67 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43432651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).