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

C14H17FN2OS — CID 112615879

IUPAC1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCc1ncc(COc2c(F)cccc2CC(C)N)s1
InChIInChI=1S/C14H17FN2OS/c1-9(16)6-11-4-3-5-13(15)14(11)18-8-12-7-17-10(2)19-12/h3-5,7,9H,6,8,16H2,1-2H3
InChIKeyAQBLKEHOLAVUIL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.06
Rot. Bonds5

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

1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 112615879) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID112615879
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCc1ncc(COc2c(F)cccc2CC(C)N)s1
InChIInChI=1S/C14H17FN2OS/c1-9(16)6-11-4-3-5-13(15)14(11)18-8-12-7-17-10(2)19-12/h3-5,7,9H,6,8,16H2,1-2H3
InChIKeyAQBLKEHOLAVUIL-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 79888393
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-[3-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878226
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020144
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine (CID 112615879) is 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine is Cc1ncc(COc2c(F)cccc2CC(C)N)s1.
What is the InChIKey of 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is AQBLKEHOLAVUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9(16)6-11-4-3-5-13(15)14(11)18-8-12-7-17-10(2)19-12/h3-5,7,9H,6,8,16H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 112615879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).