1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine

C15H20N2O2S — CID 60908019

IUPAC1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1csc(C)n1
InChIInChI=1S/C15H20N2O2S/c1-10(16)7-12-5-4-6-14(18-3)15(12)19-8-13-9-20-11(2)17-13/h4-6,9-10H,7-8,16H2,1-3H3
InChIKeyXUABVOFCIDRYFC-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.93
Rot. Bonds6

About 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine

1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine (PubChem CID 60908019) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
PubChem CID60908019
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1csc(C)n1
InChIInChI=1S/C15H20N2O2S/c1-10(16)7-12-5-4-6-14(18-3)15(12)19-8-13-9-20-11(2)17-13/h4-6,9-10H,7-8,16H2,1-3H3
InChIKeyXUABVOFCIDRYFC-UHFFFAOYSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine (CID 60908019) is 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCc1csc(C)n1.
What is the InChIKey of 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is XUABVOFCIDRYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(16)7-12-5-4-6-14(18-3)15(12)19-8-13-9-20-11(2)17-13/h4-6,9-10H,7-8,16H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine?
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 292.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 60908019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).