N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine

C17H23NS — CID 81494858

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(C(C)(C)C)s1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-13(14-8-6-5-7-9-14)18-12-15-10-11-16(19-15)17(2,3)4/h5-11,13,18H,12H2,1-4H3
InChIKeyXFLTXCGUKFZNGP-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.90
Rot. Bonds4

About N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine

N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine (PubChem CID 81494858) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
PubChem CID81494858
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(C(C)(C)C)s1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-13(14-8-6-5-7-9-14)18-12-15-10-11-16(19-15)17(2,3)4/h5-11,13,18H,12H2,1-4H3
InChIKeyXFLTXCGUKFZNGP-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
(1R)-N-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-1-phenylethanamine
CID 124690099
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
CID 103924351
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine (CID 81494858) is N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine is CC(NCc1ccc(C(C)(C)C)s1)c1ccccc1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine?
The InChIKey is XFLTXCGUKFZNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-13(14-8-6-5-7-9-14)18-12-15-10-11-16(19-15)17(2,3)4/h5-11,13,18H,12H2,1-4H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine?
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine has a molecular weight of 273.44 g/mol, XLogP of 4.90, 4 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]-1-phenylethanamine is sourced from PubChem (CID 81494858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).