1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine

C17H23NS — CID 43154259

IUPAC1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H23NS/c1-5-14(18)16-11-10-15(19-16)12-6-8-13(9-7-12)17(2,3)4/h6-11,14H,5,18H2,1-4H3
InChIKeyFSDONIHBROROFI-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.12
Rot. Bonds3

About 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine

1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine (PubChem CID 43154259) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine
PubChem CID43154259
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H23NS/c1-5-14(18)16-11-10-15(19-16)12-6-8-13(9-7-12)17(2,3)4/h6-11,14H,5,18H2,1-4H3
InChIKeyFSDONIHBROROFI-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-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

1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154192
1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363563
1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62634602
1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 66475853
1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 43287664
1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154452
1-(5-phenylthiophen-2-yl)ethane-1,2-diamine
CID 170894587
1-[5-(2,6-dibromo-4-chlorophenyl)thiophen-2-yl]propan-1-amine
CID 114209207
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine (CID 43154259) is 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine is CCC(N)c1ccc(-c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine?
The InChIKey is FSDONIHBROROFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-5-14(18)16-11-10-15(19-16)12-6-8-13(9-7-12)17(2,3)4/h6-11,14H,5,18H2,1-4H3.
What are the key properties of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine?
1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 43154259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).