N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

C18H25NS — CID 63528434

IUPACN-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H25NS/c1-5-8-19-17(12-16-7-6-9-20-16)18-14(3)10-13(2)11-15(18)4/h6-7,9-11,17,19H,5,8,12H2,1-4H3
InChIKeyXFXCRSDYCFGCJD-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.96
Rot. Bonds6

About N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 63528434) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
PubChem CID63528434
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H25NS/c1-5-8-19-17(12-16-7-6-9-20-16)18-14(3)10-13(2)11-15(18)4/h6-7,9-11,17,19H,5,8,12H2,1-4H3
InChIKeyXFXCRSDYCFGCJD-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
CID 106680519
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-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
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-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
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

Frequently Asked Questions

What is the IUPAC name of N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (CID 63528434) is N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is XFXCRSDYCFGCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-5-8-19-17(12-16-7-6-9-20-16)18-14(3)10-13(2)11-15(18)4/h6-7,9-11,17,19H,5,8,12H2,1-4H3.
What are the key properties of N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63528434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).