N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C15H20N2OS — CID 55012483

IUPACN-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1cccc(OCCNC(C)c2csc(C)n2)c1
InChIInChI=1S/C15H20N2OS/c1-11-5-4-6-14(9-11)18-8-7-16-12(2)15-10-19-13(3)17-15/h4-6,9-10,12,16H,7-8H2,1-3H3
InChIKeyFXDBMIJDCIOCPA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 55012483) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID55012483
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1cccc(OCCNC(C)c2csc(C)n2)c1
InChIInChI=1S/C15H20N2OS/c1-11-5-4-6-14(9-11)18-8-7-16-12(2)15-10-19-13(3)17-15/h4-6,9-10,12,16H,7-8H2,1-3H3
InChIKeyFXDBMIJDCIOCPA-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557
1-(3,4-difluorophenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60694256
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 64914980
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737233
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 55012483) is N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1cccc(OCCNC(C)c2csc(C)n2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is FXDBMIJDCIOCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-5-4-6-14(9-11)18-8-7-16-12(2)15-10-19-13(3)17-15/h4-6,9-10,12,16H,7-8H2,1-3H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 55012483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).