N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine

C16H21NS — CID 43106256

IUPACN-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCc2cccs2)cc1C
InChIInChI=1S/C16H21NS/c1-11-8-13(3)16(9-12(11)2)14(4)17-10-15-6-5-7-18-15/h5-9,14,17H,10H2,1-4H3
InChIKeyCIZGWBBQOJXSDV-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.52
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine

N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 43106256) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID43106256
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCc2cccs2)cc1C
InChIInChI=1S/C16H21NS/c1-11-8-13(3)16(9-12(11)2)14(4)17-10-15-6-5-7-18-15/h5-9,14,17H,10H2,1-4H3
InChIKeyCIZGWBBQOJXSDV-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(4-methylphenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43103422
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204729
N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63454939
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 43106256) is N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCc2cccs2)cc1C.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is CIZGWBBQOJXSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-11-8-13(3)16(9-12(11)2)14(4)17-10-15-6-5-7-18-15/h5-9,14,17H,10H2,1-4H3.
What are the key properties of N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 43106256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).