N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine

C17H23NO2S — CID 79809112

IUPACN-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1C)c1ccc(OC)cc1OC
InChIInChI=1S/C17H23NO2S/c1-5-8-18-17(15-11-21-10-12(15)2)14-7-6-13(19-3)9-16(14)20-4/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyPAXRKSLGBJKREK-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.16
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine

N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 79809112) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID79809112
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1C)c1ccc(OC)cc1OC
InChIInChI=1S/C17H23NO2S/c1-5-8-18-17(15-11-21-10-12(15)2)14-7-6-13(19-3)9-16(14)20-4/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyPAXRKSLGBJKREK-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 116810640
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923325
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine (CID 79809112) is N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cscc1C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is PAXRKSLGBJKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-5-8-18-17(15-11-21-10-12(15)2)14-7-6-13(19-3)9-16(14)20-4/h6-7,9-11,17-18H,5,8H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79809112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).