N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C16H22N2OS — CID 104585048

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(C)NCC(C)c1nccs1
InChIInChI=1S/C16H22N2OS/c1-11-5-6-15(19-4)14(9-11)13(3)18-10-12(2)16-17-7-8-20-16/h5-9,12-13,18H,10H2,1-4H3
InChIKeyORAIAVARIRDDNZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.91
Rot. Bonds6

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104585048) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104585048
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(C)NCC(C)c1nccs1
InChIInChI=1S/C16H22N2OS/c1-11-5-6-15(19-4)14(9-11)13(3)18-10-12(2)16-17-7-8-20-16/h5-9,12-13,18H,10H2,1-4H3
InChIKeyORAIAVARIRDDNZ-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 124846660
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584918
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 54976068
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
CID 103784409
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43225409

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104585048) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is COc1ccc(C)cc1C(C)NCC(C)c1nccs1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ORAIAVARIRDDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-5-6-15(19-4)14(9-11)13(3)18-10-12(2)16-17-7-8-20-16/h5-9,12-13,18H,10H2,1-4H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104585048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).