N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine

C18H25NS — CID 43489786

IUPACN-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H25NS/c1-7-19-18(16-8-9-20-10-16)17-14(5)12(3)11(2)13(4)15(17)6/h8-10,18-19H,7H2,1-6H3
InChIKeyVWEMXHGGCOZAAW-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.99
Rot. Bonds4

About N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine

N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 43489786) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID43489786
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H25NS/c1-7-19-18(16-8-9-20-10-16)17-14(5)12(3)11(2)13(4)15(17)6/h8-10,18-19H,7H2,1-6H3
InChIKeyVWEMXHGGCOZAAW-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 106878151
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
CID 79597209
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
CID 63020064

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine (CID 43489786) is N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is VWEMXHGGCOZAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-7-19-18(16-8-9-20-10-16)17-14(5)12(3)11(2)13(4)15(17)6/h8-10,18-19H,7H2,1-6H3.
What are the key properties of N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine?
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 287.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 43489786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).