1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine

C19H27NS — CID 105145207

IUPAC1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNC(CCCc1cccs1)c1ccc(C)cc1C
InChIInChI=1S/C19H27NS/c1-4-12-20-19(9-5-7-17-8-6-13-21-17)18-11-10-15(2)14-16(18)3/h6,8,10-11,13-14,19-20H,4-5,7,9,12H2,1-3H3
InChIKeyJMZDZUQWHASOKZ-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.43
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine

1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105145207) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105145207
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNC(CCCc1cccs1)c1ccc(C)cc1C
InChIInChI=1S/C19H27NS/c1-4-12-20-19(9-5-7-17-8-6-13-21-17)18-11-10-15(2)14-16(18)3/h6,8,10-11,13-14,19-20H,4-5,7,9,12H2,1-3H3
InChIKeyJMZDZUQWHASOKZ-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105145212

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine (CID 105145207) is 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine is CCCNC(CCCc1cccs1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is JMZDZUQWHASOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-4-12-20-19(9-5-7-17-8-6-13-21-17)18-11-10-15(2)14-16(18)3/h6,8,10-11,13-14,19-20H,4-5,7,9,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine?
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105145207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).