1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

C14H16F2N2O2S — CID 61330535

IUPAC1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(OC)c(OC(F)F)c1)c1nc(C)cs1
InChIInChI=1S/C14H16F2N2O2S/c1-8-7-21-13(18-8)12(17-2)9-4-5-10(19-3)11(6-9)20-14(15)16/h4-7,12,14,17H,1-3H3
InChIKeyJJKXELWUDBTWPJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.37
Rot. Bonds6

About 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 61330535) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID61330535
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(OC)c(OC(F)F)c1)c1nc(C)cs1
InChIInChI=1S/C14H16F2N2O2S/c1-8-7-21-13(18-8)12(17-2)9-4-5-10(19-3)11(6-9)20-14(15)16/h4-7,12,14,17H,1-3H3
InChIKeyJJKXELWUDBTWPJ-UHFFFAOYSA-N
XLogP3.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330839
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332307
1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 114937719
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 61055320
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
CID 121300586
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 43481131
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61282596
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 51434857

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 61330535) is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is CNC(c1ccc(OC)c(OC(F)F)c1)c1nc(C)cs1.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is JJKXELWUDBTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-8-7-21-13(18-8)12(17-2)9-4-5-10(19-3)11(6-9)20-14(15)16/h4-7,12,14,17H,1-3H3.
What are the key properties of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 314.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61330535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).