1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine

C13H14ClFN2S — CID 82806378

IUPAC1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccs1)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2S/c1-16-10(8-12-17-5-6-18-12)7-9-3-2-4-11(14)13(9)15/h2-6,10,16H,7-8H2,1H3
InChIKeyNYQJJMQRHBBRHV-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine

1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 82806378) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID82806378
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccs1)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2S/c1-16-10(8-12-17-5-6-18-12)7-9-3-2-4-11(14)13(9)15/h2-6,10,16H,7-8H2,1H3
InChIKeyNYQJJMQRHBBRHV-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050770
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 82806378) is 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1nccs1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is NYQJJMQRHBBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-16-10(8-12-17-5-6-18-12)7-9-3-2-4-11(14)13(9)15/h2-6,10,16H,7-8H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 82806378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).