2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

C14H14Cl2FNS — CID 103043473

IUPAC2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H14Cl2FNS/c1-2-18-12(13-5-6-14(16)19-13)8-9-3-4-11(17)10(15)7-9/h3-7,12,18H,2,8H2,1H3
InChIKeyCCNAAECLQKLROM-UHFFFAOYSA-N
MW318.24 g/mol
LogP5.09
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 103043473) has the molecular formula C14H14Cl2FNS and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID103043473
Molecular FormulaC14H14Cl2FNS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H14Cl2FNS/c1-2-18-12(13-5-6-14(16)19-13)8-9-3-4-11(17)10(15)7-9/h3-7,12,18H,2,8H2,1H3
InChIKeyCCNAAECLQKLROM-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.24
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739269
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 44535881
N-(3,4-dichlorobenzyl)-N-(2-thienylmethyl)amine
CID 834534
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
N-((2-chlorophenyl)methyl)thiophene-3-ethylamine
CID 6454012
4-(2-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 21953224
2-Thenylamine, alpha-benzyl-N-isopropyl-, hydrochloride
CID 3061991
2-(3-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061996
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 103043473) is 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is CCNAAECLQKLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FNS/c1-2-18-12(13-5-6-14(16)19-13)8-9-3-4-11(17)10(15)7-9/h3-7,12,18H,2,8H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 318.24 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103043473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).