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

C15H17Cl2NS — CID 79985462

IUPACN-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1sccc1CC
InChIInChI=1S/C15H17Cl2NS/c1-3-10-7-8-19-15(10)14(18-4-2)12-9-11(16)5-6-13(12)17/h5-9,14,18H,3-4H2,1-2H3
InChIKeyTXBYCBVFPNTKRL-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.32
Rot. Bonds5

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

N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 79985462) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID79985462
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC NameN-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1sccc1CC
InChIInChI=1S/C15H17Cl2NS/c1-3-10-7-8-19-15(10)14(18-4-2)12-9-11(16)5-6-13(12)17/h5-9,14,18H,3-4H2,1-2H3
InChIKeyTXBYCBVFPNTKRL-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
N-[(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 80535170
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 80645048
N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 79985221
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 81156291
N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 43491967
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435
N-[(5-bromo-2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79972309

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine (CID 79985462) is N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1sccc1CC.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is TXBYCBVFPNTKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-10-7-8-19-15(10)14(18-4-2)12-9-11(16)5-6-13(12)17/h5-9,14,18H,3-4H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 314.28 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 79985462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).