4-(5-tert-butylthiophen-2-yl)aniline

C14H17NS — CID 10399021

IUPAC4-(5-tert-butylthiophen-2-yl)aniline
SMILESCC(C)(C)c1ccc(-c2ccc(N)cc2)s1
InChIInChI=1S/C14H17NS/c1-14(2,3)13-9-8-12(16-13)10-4-6-11(15)7-5-10/h4-9H,15H2,1-3H3
InChIKeyLQXKUATUAKNMCY-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.29
Rot. Bonds1

About 4-(5-tert-butylthiophen-2-yl)aniline

4-(5-tert-butylthiophen-2-yl)aniline (PubChem CID 10399021) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-(5-tert-butylthiophen-2-yl)aniline.

Molecular Properties

Compound Name4-(5-tert-butylthiophen-2-yl)aniline
PubChem CID10399021
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4-(5-tert-butylthiophen-2-yl)aniline
SMILESCC(C)(C)c1ccc(-c2ccc(N)cc2)s1
InChIInChI=1S/C14H17NS/c1-14(2,3)13-9-8-12(16-13)10-4-6-11(15)7-5-10/h4-9H,15H2,1-3H3
InChIKeyLQXKUATUAKNMCY-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
3-(5-tert-butylthiophen-2-yl)-1H-pyrrole;molecular hydrogen
CID 162432340
4-(6-tert-butyl-2-pyridinyl)aniline
CID 10105113
2-[5-(5-tert-butylthiophen-2-yl)thiophen-2-yl]anthracene-9,10-dione
CID 170961016
2-(5-tert-butylthiophen-2-yl)propan-2-amine
CID 123343971
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
2-(5-tert-butylthiophen-2-yl)-6-[[6-(5-tert-butylthiophen-2-yl)-2-pyridinyl]methyl]pyridine
CID 58240094
benzene;4-tert-butylaniline
CID 175140068
4-(5-tert-butylthiophen-2-yl)thiadiazole
CID 118946004
2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene
CID 155166198
5-(3-aminophenyl)thiophen-2-amine
CID 117222696
4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline
CID 131995519

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylthiophen-2-yl)aniline?
The IUPAC name of 4-(5-tert-butylthiophen-2-yl)aniline (CID 10399021) is 4-(5-tert-butylthiophen-2-yl)aniline.
What is the SMILES notation for 4-(5-tert-butylthiophen-2-yl)aniline?
The canonical SMILES for 4-(5-tert-butylthiophen-2-yl)aniline is CC(C)(C)c1ccc(-c2ccc(N)cc2)s1.
What is the InChIKey of 4-(5-tert-butylthiophen-2-yl)aniline?
The InChIKey is LQXKUATUAKNMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-14(2,3)13-9-8-12(16-13)10-4-6-11(15)7-5-10/h4-9H,15H2,1-3H3.
What are the key properties of 4-(5-tert-butylthiophen-2-yl)aniline?
4-(5-tert-butylthiophen-2-yl)aniline has a molecular weight of 231.36 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylthiophen-2-yl)aniline is sourced from PubChem (CID 10399021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).