N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C14H15ClFNS — CID 54952882

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNS/c1-10(7-11-5-6-18-9-11)17-8-12-13(15)3-2-4-14(12)16/h2-6,9-10,17H,7-8H2,1H3
InChIKeyYJEKPTJMWPTRHS-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.26
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 54952882) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID54952882
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNS/c1-10(7-11-5-6-18-9-11)17-8-12-13(15)3-2-4-14(12)16/h2-6,9-10,17H,7-8H2,1H3
InChIKeyYJEKPTJMWPTRHS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiophen-3-yl-N-[(2,3,6-trichlorophenyl)methyl]propan-2-amine
CID 78943901
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
CID 55144841
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 54952882) is N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is YJEKPTJMWPTRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-10(7-11-5-6-18-9-11)17-8-12-13(15)3-2-4-14(12)16/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 54952882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).