1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine

C15H19ClN2OS — CID 114321984

IUPAC1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCc1nc(C)cs1
InChIInChI=1S/C15H19ClN2OS/c1-3-11(17)7-12-13(16)5-4-6-14(12)19-8-15-18-10(2)9-20-15/h4-6,9,11H,3,7-8,17H2,1-2H3
InChIKeySKTXCUDIEPCLTO-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.96
Rot. Bonds6

About 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine

1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 114321984) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID114321984
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCc1nc(C)cs1
InChIInChI=1S/C15H19ClN2OS/c1-3-11(17)7-12-13(16)5-4-6-14(12)19-8-15-18-10(2)9-20-15/h4-6,9,11H,3,7-8,17H2,1-2H3
InChIKeySKTXCUDIEPCLTO-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole
CID 79025552
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
CID 63815743
1-[2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]butan-2-amine
CID 116617169
1-[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 114322152
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine (CID 114321984) is 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1OCc1nc(C)cs1.
What is the InChIKey of 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is SKTXCUDIEPCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-11(17)7-12-13(16)5-4-6-14(12)19-8-15-18-10(2)9-20-15/h4-6,9,11H,3,7-8,17H2,1-2H3.
What are the key properties of 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine?
1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 114321984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).