N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

C14H15ClFNS — CID 43488147

IUPACN-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFNS/c1-3-17-14(13-7-4-9(2)18-13)11-8-10(15)5-6-12(11)16/h4-8,14,17H,3H2,1-2H3
InChIKeyOHNANBOOYUTUSG-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.55
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488147) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43488147
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFNS/c1-3-17-14(13-7-4-9(2)18-13)11-8-10(15)5-6-12(11)16/h4-8,14,17H,3H2,1-2H3
InChIKeyOHNANBOOYUTUSG-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494336
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79724246
N-[(3-bromo-2,6-difluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 106944922
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 102828532
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43489620
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 102763885

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (CID 43488147) is N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is OHNANBOOYUTUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-3-17-14(13-7-4-9(2)18-13)11-8-10(15)5-6-12(11)16/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 283.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).