1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine

C15H19BrN2O2S — CID 115979305

IUPAC1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)cc(Br)c1OCc1cncs1
InChIInChI=1S/C15H19BrN2O2S/c1-3-19-14-6-11(4-10(2)17)5-13(16)15(14)20-8-12-7-18-9-21-12/h5-7,9-10H,3-4,8,17H2,1-2H3
InChIKeyPZNCEJNKKHFLPD-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.77
Rot. Bonds7

About 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine

1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine (PubChem CID 115979305) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
PubChem CID115979305
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC Name1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)cc(Br)c1OCc1cncs1
InChIInChI=1S/C15H19BrN2O2S/c1-3-19-14-6-11(4-10(2)17)5-13(16)15(14)20-8-12-7-18-9-21-12/h5-7,9-10H,3-4,8,17H2,1-2H3
InChIKeyPZNCEJNKKHFLPD-UHFFFAOYSA-N
XLogP3.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 107739833
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 115978905
2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643588
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 60906355
1-[3-bromo-5-ethoxy-4-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421470
2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 107739564
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449
methyl 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 60906356
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961
1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 104666966
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
CID 62899307
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine (CID 115979305) is 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine is CCOc1cc(CC(C)N)cc(Br)c1OCc1cncs1.
What is the InChIKey of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is PZNCEJNKKHFLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-3-19-14-6-11(4-10(2)17)5-13(16)15(14)20-8-12-7-18-9-21-12/h5-7,9-10H,3-4,8,17H2,1-2H3.
What are the key properties of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 371.30 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115979305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).