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

C15H18Cl2N2OS — CID 61487233

IUPAC1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(Cl)c1OCc1csc(C(C)C)n1
InChIInChI=1S/C15H18Cl2N2OS/c1-9(2)15-19-12(8-21-15)7-20-14-10(6-18-3)4-11(16)5-13(14)17/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyONVJMLBUNUCSNZ-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.87
Rot. Bonds6

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

1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61487233) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61487233
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(Cl)c1OCc1csc(C(C)C)n1
InChIInChI=1S/C15H18Cl2N2OS/c1-9(2)15-19-12(8-21-15)7-20-14-10(6-18-3)4-11(16)5-13(14)17/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyONVJMLBUNUCSNZ-UHFFFAOYSA-N
XLogP4.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine with MolForge

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Related Compounds

1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487461
N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60888100
1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487391
1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577
1-[3,5-dichloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63500645
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487675
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 61487233) is 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(Cl)c1OCc1csc(C(C)C)n1.
What is the InChIKey of 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is ONVJMLBUNUCSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2OS/c1-9(2)15-19-12(8-21-15)7-20-14-10(6-18-3)4-11(16)5-13(14)17/h4-5,8-9,18H,6-7H2,1-3H3.
What are the key properties of 1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 345.30 g/mol, XLogP of 4.87, 6 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-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61487233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).