N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

C17H23NS — CID 81157055

IUPACN-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)c1sc(C)cc1C
InChIInChI=1S/C17H23NS/c1-6-18-16(17-12(3)10-13(4)19-17)15-9-7-8-11(2)14(15)5/h7-10,16,18H,6H2,1-5H3
InChIKeyUINJVAMCGKMHKJ-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.68
Rot. Bonds4

About N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 81157055) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID81157055
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)c1sc(C)cc1C
InChIInChI=1S/C17H23NS/c1-6-18-16(17-12(3)10-13(4)19-17)15-9-7-8-11(2)14(15)5/h7-10,16,18H,6H2,1-5H3
InChIKeyUINJVAMCGKMHKJ-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81157380
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine
CID 81156037
N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 80535905
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81155515
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255
N-[(3,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107979894
N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 81156291

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 81157055) is N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is CCNC(c1cccc(C)c1C)c1sc(C)cc1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UINJVAMCGKMHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-6-18-16(17-12(3)10-13(4)19-17)15-9-7-8-11(2)14(15)5/h7-10,16,18H,6H2,1-5H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 273.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81157055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).