N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine

C17H23NS — CID 43488230

IUPACN-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(CC(C)C)cc1)c1ccsc1
InChIInChI=1S/C17H23NS/c1-4-18-17(16-9-10-19-12-16)15-7-5-14(6-8-15)11-13(2)3/h5-10,12-13,17-18H,4,11H2,1-3H3
InChIKeyCUDGWFYGFLXSDP-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.65
Rot. Bonds6

About N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine

N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine (PubChem CID 43488230) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
PubChem CID43488230
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(CC(C)C)cc1)c1ccsc1
InChIInChI=1S/C17H23NS/c1-4-18-17(16-9-10-19-12-16)15-7-5-14(6-8-15)11-13(2)3/h5-10,12-13,17-18H,4,11H2,1-3H3
InChIKeyCUDGWFYGFLXSDP-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
N-[(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488263
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine (CID 43488230) is N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccc(CC(C)C)cc1)c1ccsc1.
What is the InChIKey of N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine?
The InChIKey is CUDGWFYGFLXSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-18-17(16-9-10-19-12-16)15-7-5-14(6-8-15)11-13(2)3/h5-10,12-13,17-18H,4,11H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine?
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine has a molecular weight of 273.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 43488230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).