N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine

C16H22N2O2S — CID 62070630

IUPACN-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCCc1scnc1C
InChIInChI=1S/C16H22N2O2S/c1-4-17-10-13-5-6-14(19-3)9-15(13)20-8-7-16-12(2)18-11-21-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyKKIHVSZKGUVTCM-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.19
Rot. Bonds8

About N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine

N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 62070630) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID62070630
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCCc1scnc1C
InChIInChI=1S/C16H22N2O2S/c1-4-17-10-13-5-6-14(19-3)9-15(13)20-8-7-16-12(2)18-11-21-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyKKIHVSZKGUVTCM-UHFFFAOYSA-N
XLogP3.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
CID 81107388
N-[[4-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513169
N-[[5-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62070964
[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]boronic acid
CID 65327496
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711
N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 61269264
1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491840
N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 61268716
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 79168380
2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 118779229

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine (CID 62070630) is N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OC)cc1OCCc1scnc1C.
What is the InChIKey of N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is KKIHVSZKGUVTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-17-10-13-5-6-14(19-3)9-15(13)20-8-7-16-12(2)18-11-21-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 62070630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).