(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine

C16H21NS — CID 104990648

IUPAC(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(C)c(C)cc2C)s1
InChIInChI=1S/C16H21NS/c1-5-13-6-7-15(18-13)16(17)14-9-11(3)10(2)8-12(14)4/h6-9,16H,5,17H2,1-4H3
InChIKeyLTLQOEDWSBRNLP-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.28
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine

(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990648) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990648
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(C)c(C)cc2C)s1
InChIInChI=1S/C16H21NS/c1-5-13-6-7-15(18-13)16(17)14-9-11(3)10(2)8-12(14)4/h6-9,16H,5,17H2,1-4H3
InChIKeyLTLQOEDWSBRNLP-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 107981821
(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464349
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198307
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
CID 106656355

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine (CID 104990648) is (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine is CCc1ccc(C(N)c2cc(C)c(C)cc2C)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is LTLQOEDWSBRNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-5-13-6-7-15(18-13)16(17)14-9-11(3)10(2)8-12(14)4/h6-9,16H,5,17H2,1-4H3.
What are the key properties of (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).