3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

C14H17ClN2OS — CID 105171525

IUPAC3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCc1csc(CC(N)C(C)Oc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN2OS/c1-9-8-19-14(17-9)7-13(16)10(2)18-12-5-3-4-11(15)6-12/h3-6,8,10,13H,7,16H2,1-2H3
InChIKeyIGSQKRSOQXTUMG-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.44
Rot. Bonds5

About 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 105171525) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID105171525
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCc1csc(CC(N)C(C)Oc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN2OS/c1-9-8-19-14(17-9)7-13(16)10(2)18-12-5-3-4-11(15)6-12/h3-6,8,10,13H,7,16H2,1-2H3
InChIKeyIGSQKRSOQXTUMG-UHFFFAOYSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644
1-(4-bromophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 105089165
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 102622785
1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019497
3-(3-chlorophenoxy)-1-(5-ethyl-2-pyridinyl)butan-2-amine
CID 105168932
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-(5-chloro-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019329
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
1-(2,4-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066949
2-(3-chlorophenoxy)-5-methyloctan-3-amine
CID 105137963
2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
CID 105182592
1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114025336

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 105171525) is 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is Cc1csc(CC(N)C(C)Oc2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is IGSQKRSOQXTUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-9-8-19-14(17-9)7-13(16)10(2)18-12-5-3-4-11(15)6-12/h3-6,8,10,13H,7,16H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 296.82 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 105171525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).