1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

C19H27NS — CID 43287664

IUPAC1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(C)C
InChIInChI=1S/C19H27NS/c1-13(2)18(20-6)17-12-11-16(21-17)14-7-9-15(10-8-14)19(3,4)5/h7-13,18,20H,1-6H3
InChIKeyAUJMVFKNZAUFAA-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.63
Rot. Bonds4

About 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (PubChem CID 43287664) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
PubChem CID43287664
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(C)C
InChIInChI=1S/C19H27NS/c1-13(2)18(20-6)17-12-11-16(21-17)14-7-9-15(10-8-14)19(3,4)5/h7-13,18,20H,1-6H3
InChIKeyAUJMVFKNZAUFAA-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (CID 43287664) is 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(C)C.
What is the InChIKey of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is AUJMVFKNZAUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-13(2)18(20-6)17-12-11-16(21-17)14-7-9-15(10-8-14)19(3,4)5/h7-13,18,20H,1-6H3.
What are the key properties of 1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.63, 4 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]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 43287664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).