1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C15H21N3S — CID 106848552

IUPAC1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCSc1ccc(C(N)CCc2nccn2C)cc1
InChIInChI=1S/C15H21N3S/c1-3-19-13-6-4-12(5-7-13)14(16)8-9-15-17-10-11-18(15)2/h4-7,10-11,14H,3,8-9,16H2,1-2H3
InChIKeyGIRCGTOUVCIVJT-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 106848552) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID106848552
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCSc1ccc(C(N)CCc2nccn2C)cc1
InChIInChI=1S/C15H21N3S/c1-3-19-13-6-4-12(5-7-13)14(16)8-9-15-17-10-11-18(15)2/h4-7,10-11,14H,3,8-9,16H2,1-2H3
InChIKeyGIRCGTOUVCIVJT-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
3-(1-methylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 105049951
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103216419
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine
CID 105187627
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529771
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 106848552) is 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is CCSc1ccc(C(N)CCc2nccn2C)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is GIRCGTOUVCIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-19-13-6-4-12(5-7-13)14(16)8-9-15-17-10-11-18(15)2/h4-7,10-11,14H,3,8-9,16H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 106848552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).