N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

C15H17ClFNS — CID 82875565

IUPACN-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)c1ccc(CC)s1
InChIInChI=1S/C15H17ClFNS/c1-3-11-6-8-14(19-11)15(18-4-2)10-5-7-13(17)12(16)9-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyPDXWAKVXDSEMKA-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.80
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 82875565) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID82875565
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)c1ccc(CC)s1
InChIInChI=1S/C15H17ClFNS/c1-3-11-6-8-14(19-11)15(18-4-2)10-5-7-13(17)12(16)9-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyPDXWAKVXDSEMKA-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 63418184
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
N-[(3-bromo-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79746861
N-[(3-chloro-4-iodophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 103220153
N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 82875015
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-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (CID 82875565) is N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(F)c(Cl)c1)c1ccc(CC)s1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is PDXWAKVXDSEMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-3-11-6-8-14(19-11)15(18-4-2)10-5-7-13(17)12(16)9-10/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 297.83 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 82875565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).