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

C14H18N2S — CID 79416654

IUPACN-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cscn1)c1cccc(C)c1
InChIInChI=1S/C14H18N2S/c1-11-4-3-5-12(6-11)13(8-15-2)7-14-9-17-10-16-14/h3-6,9-10,13,15H,7-8H2,1-2H3
InChIKeyBLTIFSWFWVOHCO-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.00
Rot. Bonds5

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

N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79416654) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID79416654
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cscn1)c1cccc(C)c1
InChIInChI=1S/C14H18N2S/c1-11-4-3-5-12(6-11)13(8-15-2)7-14-9-17-10-16-14/h3-6,9-10,13,15H,7-8H2,1-2H3
InChIKeyBLTIFSWFWVOHCO-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443167
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443102
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
CID 79417284
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79420864
4-[3-bromo-2-(bromomethyl)-2-(3-methylphenyl)propyl]-1,3-thiazole
CID 79455418
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine (CID 79416654) is N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine is CNCC(Cc1cscn1)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is BLTIFSWFWVOHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-4-3-5-12(6-11)13(8-15-2)7-14-9-17-10-16-14/h3-6,9-10,13,15H,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79416654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).