1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine

C16H22N2OS — CID 61487826

IUPAC1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C16H22N2OS/c1-4-14(17)13-7-5-6-8-15(13)19-9-12-10-20-16(18-12)11(2)3/h5-8,10-11,14H,4,9,17H2,1-3H3
InChIKeyAEPGRACFADTFMA-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.26
Rot. Bonds6

About 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine

1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine (PubChem CID 61487826) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
PubChem CID61487826
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C16H22N2OS/c1-4-14(17)13-7-5-6-8-15(13)19-9-12-10-20-16(18-12)11(2)3/h5-8,10-11,14H,4,9,17H2,1-3H3
InChIKeyAEPGRACFADTFMA-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 63364149
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
(1R)-1-[5-chloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366748
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
CID 61227732
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine (CID 61487826) is 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccccc1OCc1csc(C(C)C)n1.
What is the InChIKey of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is AEPGRACFADTFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-14(17)13-7-5-6-8-15(13)19-9-12-10-20-16(18-12)11(2)3/h5-8,10-11,14H,4,9,17H2,1-3H3.
What are the key properties of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 61487826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).