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

C15H19ClN2S — CID 106868100

IUPAC1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nc(C)cs1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H19ClN2S/c1-10-4-5-12(14(16)6-10)7-13(17-3)8-15-18-11(2)9-19-15/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyOFGQNNTUYACQMT-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.79
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 106868100) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID106868100
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nc(C)cs1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H19ClN2S/c1-10-4-5-12(14(16)6-10)7-13(17-3)8-15-18-11(2)9-19-15/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyOFGQNNTUYACQMT-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106867910
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82877070

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 106868100) is 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1nc(C)cs1)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is OFGQNNTUYACQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-10-4-5-12(14(16)6-10)7-13(17-3)8-15-18-11(2)9-19-15/h4-6,9,13,17H,7-8H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 294.85 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 106868100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).