N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C17H24N2OS — CID 105019257

IUPACN-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H24N2OS/c1-5-8-18-15(10-17-19-13(3)11-21-17)14-7-6-12(2)16(9-14)20-4/h6-7,9,11,15,18H,5,8,10H2,1-4H3
InChIKeyFIPNWKJPXSUNPA-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.05
Rot. Bonds7

About N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 105019257) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID105019257
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H24N2OS/c1-5-8-18-15(10-17-19-13(3)11-21-17)14-7-6-12(2)16(9-14)20-4/h6-7,9,11,15,18H,5,8,10H2,1-4H3
InChIKeyFIPNWKJPXSUNPA-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxy-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65318369
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 62797242
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019377
N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330839
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019318
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 105019257) is N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1ccc(C)c(OC)c1.
What is the InChIKey of N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is FIPNWKJPXSUNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-8-18-15(10-17-19-13(3)11-21-17)14-7-6-12(2)16(9-14)20-4/h6-7,9,11,15,18H,5,8,10H2,1-4H3.
What are the key properties of N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105019257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).