1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine

C16H21FN2OS — CID 107701409

IUPAC1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
SMILESCCc1nc(COc2ccc(F)cc2CC(N)CC)cs1
InChIInChI=1S/C16H21FN2OS/c1-3-13(18)8-11-7-12(17)5-6-15(11)20-9-14-10-21-16(4-2)19-14/h5-7,10,13H,3-4,8-9,18H2,1-2H3
InChIKeyDNYWQDMQSPSMQR-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.70
Rot. Bonds7

About 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine (PubChem CID 107701409) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
PubChem CID107701409
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
SMILESCCc1nc(COc2ccc(F)cc2CC(N)CC)cs1
InChIInChI=1S/C16H21FN2OS/c1-3-13(18)8-11-7-12(17)5-6-15(11)20-9-14-10-21-16(4-2)19-14/h5-7,10,13H,3-4,8-9,18H2,1-2H3
InChIKeyDNYWQDMQSPSMQR-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700884
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 112726596
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 107701306
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
(1S)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanol
CID 78931623
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701248
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine (CID 107701409) is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine is CCc1nc(COc2ccc(F)cc2CC(N)CC)cs1.
What is the InChIKey of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
The InChIKey is DNYWQDMQSPSMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-3-13(18)8-11-7-12(17)5-6-15(11)20-9-14-10-21-16(4-2)19-14/h5-7,10,13H,3-4,8-9,18H2,1-2H3.
What are the key properties of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine has a molecular weight of 308.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 107701409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).