N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine

C17H23NS — CID 63416075

IUPACN-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cc(C)ccc1C
InChIInChI=1S/C17H23NS/c1-4-9-18-17(12-15-6-5-10-19-15)16-11-13(2)7-8-14(16)3/h5-8,10-11,17-18H,4,9,12H2,1-3H3
InChIKeyWFJJRTKICWUFMP-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.65
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine

N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 63416075) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID63416075
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cc(C)ccc1C
InChIInChI=1S/C17H23NS/c1-4-9-18-17(12-15-6-5-10-19-15)16-11-13(2)7-8-14(16)3/h5-8,10-11,17-18H,4,9,12H2,1-3H3
InChIKeyWFJJRTKICWUFMP-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207
N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
N-[1-(4-chloro-2,5-difluorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 82771763
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114219164
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine (CID 63416075) is N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1cc(C)ccc1C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is WFJJRTKICWUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-9-18-17(12-15-6-5-10-19-15)16-11-13(2)7-8-14(16)3/h5-8,10-11,17-18H,4,9,12H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 63416075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).