N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C16H22N2OS — CID 104588784

IUPACN-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(C)Oc1ccccc1CNCC(C)c1nccs1
InChIInChI=1S/C16H22N2OS/c1-12(2)19-15-7-5-4-6-14(15)11-17-10-13(3)16-18-8-9-20-16/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyVDPCFOZKFJGITJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.82
Rot. Bonds7

About N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104588784) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104588784
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(C)Oc1ccccc1CNCC(C)c1nccs1
InChIInChI=1S/C16H22N2OS/c1-12(2)19-15-7-5-4-6-14(15)11-17-10-13(3)16-18-8-9-20-16/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyVDPCFOZKFJGITJ-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 104588599
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588786
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588751
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103700595
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104588784) is N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(C)Oc1ccccc1CNCC(C)c1nccs1.
What is the InChIKey of N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is VDPCFOZKFJGITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(2)19-15-7-5-4-6-14(15)11-17-10-13(3)16-18-8-9-20-16/h4-9,12-13,17H,10-11H2,1-3H3.
What are the key properties of N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104588784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).