N-[(5-tert-butylthiophen-2-yl)methyl]aniline

C15H19NS — CID 58624276

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]aniline
SMILESCC(C)(C)c1ccc(CNc2ccccc2)s1
InChIInChI=1S/C15H19NS/c1-15(2,3)14-10-9-13(17-14)11-16-12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3
InChIKeyLZKHOBGFCJALOW-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.66
Rot. Bonds3

About N-[(5-tert-butylthiophen-2-yl)methyl]aniline

N-[(5-tert-butylthiophen-2-yl)methyl]aniline (PubChem CID 58624276) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]aniline
PubChem CID58624276
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]aniline
SMILESCC(C)(C)c1ccc(CNc2ccccc2)s1
InChIInChI=1S/C15H19NS/c1-15(2,3)14-10-9-13(17-14)11-16-12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3
InChIKeyLZKHOBGFCJALOW-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylpyrazol-4-amine
CID 81499024
2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 115742081
N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82794611
N-[(5-tert-butylthiophen-2-yl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643619
2-bromo-N-[(5-tert-butylthiophen-2-yl)methyl]-6-fluoroaniline
CID 107597844
N-[(5-tert-butylthiophen-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82816276
3-N-[(5-phenylthiophen-2-yl)methyl]benzene-1,3-diamine
CID 91804343
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
N-[(5-tert-butylthiophen-2-yl)methyl]-2,5-difluoro-4-methylaniline
CID 103584786

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]aniline?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]aniline (CID 58624276) is N-[(5-tert-butylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]aniline?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]aniline is CC(C)(C)c1ccc(CNc2ccccc2)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]aniline?
The InChIKey is LZKHOBGFCJALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-15(2,3)14-10-9-13(17-14)11-16-12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]aniline?
N-[(5-tert-butylthiophen-2-yl)methyl]aniline has a molecular weight of 245.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 58624276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).