N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine

C17H23NS — CID 43287471

IUPACN-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccc(C)cc2)s1
InChIInChI=1S/C17H23NS/c1-4-6-15(18-5-2)17-12-11-16(19-17)14-9-7-13(3)8-10-14/h7-12,15,18H,4-6H2,1-3H3
InChIKeyHZCCZXDOZADQKI-UHFFFAOYSA-N
MW273.45 g/mol
LogP5.17
Rot. Bonds6

About N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine

N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43287471) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
PubChem CID43287471
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccc(C)cc2)s1
InChIInChI=1S/C17H23NS/c1-4-6-15(18-5-2)17-12-11-16(19-17)14-9-7-13(3)8-10-14/h7-12,15,18H,4-6H2,1-3H3
InChIKeyHZCCZXDOZADQKI-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine
CID 43287744
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43288049
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287870
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43287930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine (CID 43287471) is N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine is CCCC(NCC)c1ccc(-c2ccc(C)cc2)s1.
What is the InChIKey of N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is HZCCZXDOZADQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-6-15(18-5-2)17-12-11-16(19-17)14-9-7-13(3)8-10-14/h7-12,15,18H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine?
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 273.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43287471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).