N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine

C15H20N2OS — CID 79825125

IUPACN-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCOc1ccccc1)Cc1nccs1
InChIInChI=1S/C15H20N2OS/c1-2-16-13(12-15-17-9-11-19-15)8-10-18-14-6-4-3-5-7-14/h3-7,9,11,13,16H,2,8,10,12H2,1H3
InChIKeyAFTCVMDLXVQJAY-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.13
Rot. Bonds8

About N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine

N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79825125) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID79825125
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCOc1ccccc1)Cc1nccs1
InChIInChI=1S/C15H20N2OS/c1-2-16-13(12-15-17-9-11-19-15)8-10-18-14-6-4-3-5-7-14/h3-7,9,11,13,16H,2,8,10,12H2,1H3
InChIKeyAFTCVMDLXVQJAY-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-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-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105169125
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79825138
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
2-N-ethyl-1-N,1-N-dimethyl-3-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 79823508
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
[4-propoxy-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105324590

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine (CID 79825125) is N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine is CCNC(CCOc1ccccc1)Cc1nccs1.
What is the InChIKey of N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is AFTCVMDLXVQJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-16-13(12-15-17-9-11-19-15)8-10-18-14-6-4-3-5-7-14/h3-7,9,11,13,16H,2,8,10,12H2,1H3.
What are the key properties of N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79825125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).