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

C18H25NS — CID 43287717

IUPACN-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccc(CC)cc2)s1
InChIInChI=1S/C18H25NS/c1-4-7-16(19-6-3)18-13-12-17(20-18)15-10-8-14(5-2)9-11-15/h8-13,16,19H,4-7H2,1-3H3
InChIKeyFYVINFMVDUWIPT-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.43
Rot. Bonds7

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

N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43287717) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
PubChem CID43287717
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccc(CC)cc2)s1
InChIInChI=1S/C18H25NS/c1-4-7-16(19-6-3)18-13-12-17(20-18)15-10-8-14(5-2)9-11-15/h8-13,16,19H,4-7H2,1-3H3
InChIKeyFYVINFMVDUWIPT-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine
CID 43287744
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43288049
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
CID 139942065
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
2-(4-ethylphenyl)-5-[5-[5-[5-[5-[5-(4-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 139982263
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine (CID 43287717) is N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine is CCCC(NCC)c1ccc(-c2ccc(CC)cc2)s1.
What is the InChIKey of N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is FYVINFMVDUWIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-7-16(19-6-3)18-13-12-17(20-18)15-10-8-14(5-2)9-11-15/h8-13,16,19H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine?
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.43, 7 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-ethylphenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43287717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).