N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine

C16H23N3S — CID 107784066

IUPACN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(Sc1ncc[nH]1)C(C)C
InChIInChI=1S/C16H23N3S/c1-4-17-14(13-8-6-5-7-9-13)15(12(2)3)20-16-18-10-11-19-16/h5-12,14-15,17H,4H2,1-3H3,(H,18,19)
InChIKeyVTJJCPQIUYLNJU-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.88
Rot. Bonds7

About N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine

N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine (PubChem CID 107784066) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine
PubChem CID107784066
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(Sc1ncc[nH]1)C(C)C
InChIInChI=1S/C16H23N3S/c1-4-17-14(13-8-6-5-7-9-13)15(12(2)3)20-16-18-10-11-19-16/h5-12,14-15,17H,4H2,1-3H3,(H,18,19)
InChIKeyVTJJCPQIUYLNJU-UHFFFAOYSA-N
XLogP3.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64648695
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
CID 64648445
2-(1H-imidazol-2-ylsulfanyl)-2-phenylethanamine
CID 107779655
N,3-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine
CID 64619465
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 107783914
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
CID 107784064
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107783907
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
CID 107784010
N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 107780572
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine (CID 107784066) is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine is CCNC(c1ccccc1)C(Sc1ncc[nH]1)C(C)C.
What is the InChIKey of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is VTJJCPQIUYLNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-17-14(13-8-6-5-7-9-13)15(12(2)3)20-16-18-10-11-19-16/h5-12,14-15,17H,4H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine?
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 107784066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).