N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine

C14H18N2OS — CID 112642684

IUPACN-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCNC(CCOc1ccccc1)Cc1cncs1
InChIInChI=1S/C14H18N2OS/c1-15-12(9-14-10-16-11-18-14)7-8-17-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3
InChIKeyHXQWKSNXJOFGTH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.74
Rot. Bonds7

About N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine

N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine (PubChem CID 112642684) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine
PubChem CID112642684
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCNC(CCOc1ccccc1)Cc1cncs1
InChIInChI=1S/C14H18N2OS/c1-15-12(9-14-10-16-11-18-14)7-8-17-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3
InChIKeyHXQWKSNXJOFGTH-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642906
N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642913
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-methyl-1-phenoxynonan-3-amine
CID 55094999
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105205632
1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105030493
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502
1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
CID 105373609
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
1-(2-bromo-4-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 62608478
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine (CID 112642684) is N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine is CNC(CCOc1ccccc1)Cc1cncs1.
What is the InChIKey of N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is HXQWKSNXJOFGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-15-12(9-14-10-16-11-18-14)7-8-17-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3.
What are the key properties of N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine?
N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 112642684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).