N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine

C17H23NS — CID 64989890

IUPACN-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H23NS/c1-5-8-18-17(16-7-6-9-19-16)15-11-13(3)12(2)10-14(15)4/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyYKTMDZRTGJFMHV-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.76
Rot. Bonds5

About N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine

N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine (PubChem CID 64989890) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
PubChem CID64989890
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H23NS/c1-5-8-18-17(16-7-6-9-19-16)15-11-13(3)12(2)10-14(15)4/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyYKTMDZRTGJFMHV-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 104990355
N-[(4-bromothiophen-2-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64990264
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100685
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495934
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 106645278
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486

Frequently Asked Questions

What is the IUPAC name of N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine (CID 64989890) is N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine is CCCNC(c1cccs1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is YKTMDZRTGJFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-5-8-18-17(16-7-6-9-19-16)15-11-13(3)12(2)10-14(15)4/h6-7,9-11,17-18H,5,8H2,1-4H3.
What are the key properties of N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 64989890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).