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

C15H17Cl2NS — CID 43488451

IUPACN-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(CC)s1
InChIInChI=1S/C15H17Cl2NS/c1-3-13-5-6-14(19-13)15(18-4-2)10-7-11(16)9-12(17)8-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyNTDACVPZKHQBJM-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.32
Rot. Bonds5

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

N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488451) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID43488451
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC NameN-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(CC)s1
InChIInChI=1S/C15H17Cl2NS/c1-3-13-5-6-14(19-13)15(18-4-2)10-7-11(16)9-12(17)8-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyNTDACVPZKHQBJM-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-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 82875565
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81323789
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
N-[(5-ethylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027467
2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
CID 81324476

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (CID 43488451) is N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Cl)c1)c1ccc(CC)s1.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is NTDACVPZKHQBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-13-5-6-14(19-13)15(18-4-2)10-7-11(16)9-12(17)8-10/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[(3,5-dichlorophenyl)-(5-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-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).