1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C15H18Cl2N2OS — CID 61487461

IUPAC1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCc1nc(COc2c(Cl)cc(Cl)cc2CNC)cs1
InChIInChI=1S/C15H18Cl2N2OS/c1-3-4-14-19-12(9-21-14)8-20-15-10(7-18-2)5-11(16)6-13(15)17/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyXXYCGFVWZOZTEG-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.70
Rot. Bonds7

About 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61487461) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61487461
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCc1nc(COc2c(Cl)cc(Cl)cc2CNC)cs1
InChIInChI=1S/C15H18Cl2N2OS/c1-3-4-14-19-12(9-21-14)8-20-15-10(7-18-2)5-11(16)6-13(15)17/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyXXYCGFVWZOZTEG-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487233
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577
1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487623
N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60888100
3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 61487588
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
1-[3,5-dichloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63500645
1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62485760
3,5-dibromo-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 107738309

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 61487461) is 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CCCc1nc(COc2c(Cl)cc(Cl)cc2CNC)cs1.
What is the InChIKey of 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is XXYCGFVWZOZTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2OS/c1-3-4-14-19-12(9-21-14)8-20-15-10(7-18-2)5-11(16)6-13(15)17/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 345.30 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61487461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).