1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C14H16Cl2N2S — CID 62799514

IUPAC1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)Cc1csc(C)n1
InChIInChI=1S/C14H16Cl2N2S/c1-9-18-12(8-19-9)7-11(17-2)5-10-3-4-13(15)14(16)6-10/h3-4,6,8,11,17H,5,7H2,1-2H3
InChIKeyUDUPRVRYKXOGEN-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.13
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 62799514) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID62799514
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)Cc1csc(C)n1
InChIInChI=1S/C14H16Cl2N2S/c1-9-18-12(8-19-9)7-11(17-2)5-10-3-4-13(15)14(16)6-10/h3-4,6,8,11,17H,5,7H2,1-2H3
InChIKeyUDUPRVRYKXOGEN-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105159050
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62799687
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642975
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 62799514) is 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CNC(Cc1ccc(Cl)c(Cl)c1)Cc1csc(C)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is UDUPRVRYKXOGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-9-18-12(8-19-9)7-11(17-2)5-10-3-4-13(15)14(16)6-10/h3-4,6,8,11,17H,5,7H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 315.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 62799514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).