1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

C14H15ClFNS — CID 43480778

IUPAC1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-3-10-5-7-13(18-10)14(17-2)11-6-4-9(16)8-12(11)15/h4-8,14,17H,3H2,1-2H3
InChIKeyREDNGEXCDXDJSX-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.41
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 43480778) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID43480778
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-3-10-5-7-13(18-10)14(17-2)11-6-4-9(16)8-12(11)15/h4-8,14,17H,3H2,1-2H3
InChIKeyREDNGEXCDXDJSX-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480821
1-(4-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480749
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 102828239
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209
1-(2-chloro-4-fluorophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 43485300
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215380
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 63035807
N-[1-(2-chloro-4-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63419847

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (CID 43480778) is 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccc(F)cc2Cl)s1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is REDNGEXCDXDJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-3-10-5-7-13(18-10)14(17-2)11-6-4-9(16)8-12(11)15/h4-8,14,17H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 283.80 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 43480778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).