2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine

C17H23NS — CID 43734672

IUPAC2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(CC)C(NCc1ccsc1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-3-15(4-2)17(16-8-6-5-7-9-16)18-12-14-10-11-19-13-14/h5-11,13,15,17-18H,3-4,12H2,1-2H3
InChIKeyNJIAKNRSOVGOAQ-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.02
Rot. Bonds7

About 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine

2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine (PubChem CID 43734672) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
PubChem CID43734672
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(CC)C(NCc1ccsc1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-3-15(4-2)17(16-8-6-5-7-9-16)18-12-14-10-11-19-13-14/h5-11,13,15,17-18H,3-4,12H2,1-2H3
InChIKeyNJIAKNRSOVGOAQ-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1-phenylbutan-1-amine
CID 63445722
1-(furan-2-yl)-1-phenyl-N-(thiophen-3-ylmethyl)methanamine
CID 60669470
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
CID 115845128
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine
CID 115856961
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine (CID 43734672) is 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine is CCC(CC)C(NCc1ccsc1)c1ccccc1.
What is the InChIKey of 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine?
The InChIKey is NJIAKNRSOVGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-15(4-2)17(16-8-6-5-7-9-16)18-12-14-10-11-19-13-14/h5-11,13,15,17-18H,3-4,12H2,1-2H3.
What are the key properties of 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine?
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 43734672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).