1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

C14H15ClFNS — CID 114452944

IUPAC1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2cc(F)cc(Cl)c2)sc1C
InChIInChI=1S/C14H15ClFNS/c1-9-3-14(18-10(9)2)8-17-7-11-4-12(15)6-13(16)5-11/h3-6,17H,7-8H2,1-2H3
InChIKeyPZGNPCFNNZISJK-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.45
Rot. Bonds4

About 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (PubChem CID 114452944) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
PubChem CID114452944
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2cc(F)cc(Cl)c2)sc1C
InChIInChI=1S/C14H15ClFNS/c1-9-3-14(18-10(9)2)8-17-7-11-4-12(15)6-13(16)5-11/h3-6,17H,7-8H2,1-2H3
InChIKeyPZGNPCFNNZISJK-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (CID 114452944) is 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is Cc1cc(CNCc2cc(F)cc(Cl)c2)sc1C.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The InChIKey is PZGNPCFNNZISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-9-3-14(18-10(9)2)8-17-7-11-4-12(15)6-13(16)5-11/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine has a molecular weight of 283.80 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 114452944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).