1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine

C17H24N2OS — CID 62071710

IUPAC1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCCc1scnc1C
InChIInChI=1S/C17H24N2OS/c1-11-7-15(9-13(3)18)8-12(2)17(11)20-6-5-16-14(4)19-10-21-16/h7-8,10,13H,5-6,9,18H2,1-4H3
InChIKeyXPZGXVDHCISDGB-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.58
Rot. Bonds6

About 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine

1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 62071710) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
PubChem CID62071710
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCCc1scnc1C
InChIInChI=1S/C17H24N2OS/c1-11-7-15(9-13(3)18)8-12(2)17(11)20-6-5-16-14(4)19-10-21-16/h7-8,10,13H,5-6,9,18H2,1-4H3
InChIKeyXPZGXVDHCISDGB-UHFFFAOYSA-N
XLogP3.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 115958359
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855
(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489
N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
CID 107109654
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965282

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine (CID 62071710) is 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine is Cc1cc(CC(C)N)cc(C)c1OCCc1scnc1C.
What is the InChIKey of 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is XPZGXVDHCISDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-7-15(9-13(3)18)8-12(2)17(11)20-6-5-16-14(4)19-10-21-16/h7-8,10,13H,5-6,9,18H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 62071710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).