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

C16H22N2O2S — CID 63019763

IUPACN-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2cnc(C)s2)c(CNC(C)C)c1
InChIInChI=1S/C16H22N2O2S/c1-11(2)17-8-13-7-14(19-4)5-6-16(13)20-10-15-9-18-12(3)21-15/h5-7,9,11,17H,8,10H2,1-4H3
InChIKeyKAFLAFBYSGBTHY-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.54
Rot. Bonds7

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

N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 63019763) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID63019763
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2cnc(C)s2)c(CNC(C)C)c1
InChIInChI=1S/C16H22N2O2S/c1-11(2)17-8-13-7-14(19-4)5-6-16(13)20-10-15-9-18-12(3)21-15/h5-7,9,11,17H,8,10H2,1-4H3
InChIKeyKAFLAFBYSGBTHY-UHFFFAOYSA-N
XLogP3.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559265
N-[[2-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 60878155
N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 65364769
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63021499
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 60878158
N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059007
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine (CID 63019763) is N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine is COc1ccc(OCc2cnc(C)s2)c(CNC(C)C)c1.
What is the InChIKey of N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is KAFLAFBYSGBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)17-8-13-7-14(19-4)5-6-16(13)20-10-15-9-18-12(3)21-15/h5-7,9,11,17H,8,10H2,1-4H3.
What are the key properties of N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63019763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).