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

C20H22N2OS — CID 83977582

IUPAC3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1ccccc1COc1ccc(CC(CN)c2nccs2)cc1
InChIInChI=1S/C20H22N2OS/c1-15-4-2-3-5-17(15)14-23-19-8-6-16(7-9-19)12-18(13-21)20-22-10-11-24-20/h2-11,18H,12-14,21H2,1H3
InChIKeyLWNXBZFHUOJAML-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.32
Rot. Bonds7

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

3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977582) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977582
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1ccccc1COc1ccc(CC(CN)c2nccs2)cc1
InChIInChI=1S/C20H22N2OS/c1-15-4-2-3-5-17(15)14-23-19-8-6-16(7-9-19)12-18(13-21)20-22-10-11-24-20/h2-11,18H,12-14,21H2,1H3
InChIKeyLWNXBZFHUOJAML-UHFFFAOYSA-N
XLogP4.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977590
4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol
CID 112539060
2-(4-fluorophenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112538903
3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977512
2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
CID 83977208
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977375
3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
CID 83975870
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79763407

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 83977582) is 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine is Cc1ccccc1COc1ccc(CC(CN)c2nccs2)cc1.
What is the InChIKey of 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is LWNXBZFHUOJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-15-4-2-3-5-17(15)14-23-19-8-6-16(7-9-19)12-18(13-21)20-22-10-11-24-20/h2-11,18H,12-14,21H2,1H3.
What are the key properties of 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 338.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).