3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

C18H25NOS — CID 105155679

IUPAC3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOc1cccc(C)c1)c1csc(C)c1
InChIInChI=1S/C18H25NOS/c1-4-9-19-18(16-12-15(3)21-13-16)8-10-20-17-7-5-6-14(2)11-17/h5-7,11-13,18-19H,4,8-10H2,1-3H3
InChIKeyWSTKYPGCTRXSDC-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.87
Rot. Bonds8

About 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 105155679) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID105155679
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOc1cccc(C)c1)c1csc(C)c1
InChIInChI=1S/C18H25NOS/c1-4-9-19-18(16-12-15(3)21-13-16)8-10-20-17-7-5-6-14(2)11-17/h5-7,11-13,18-19H,4,8-10H2,1-3H3
InChIKeyWSTKYPGCTRXSDC-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 65104437
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
CID 105150714
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182
N-ethyl-3-methoxy-1-(5-methylthiophen-3-yl)propan-1-amine
CID 65104795
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine
CID 115374230
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630
1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine
CID 105166777
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 105155679) is 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(CCOc1cccc(C)c1)c1csc(C)c1.
What is the InChIKey of 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is WSTKYPGCTRXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-4-9-19-18(16-12-15(3)21-13-16)8-10-20-17-7-5-6-14(2)11-17/h5-7,11-13,18-19H,4,8-10H2,1-3H3.
What are the key properties of 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105155679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).