1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine

C22H26N2S — CID 78022429

IUPAC1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(CNC(C)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C22H26N2S/c1-17(19-9-5-3-6-10-19)23-15-21-13-14-22(25-21)16-24-18(2)20-11-7-4-8-12-20/h3-14,17-18,23-24H,15-16H2,1-2H3
InChIKeyRZROFEZNOYJELP-UHFFFAOYSA-N
MW350.53 g/mol
LogP5.45
Rot. Bonds8

About 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine

1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 78022429) has the molecular formula C22H26N2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID78022429
Molecular FormulaC22H26N2S
Molecular Weight350.53 g/mol
Exact Mass350.18
IUPAC Name1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(CNC(C)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C22H26N2S/c1-17(19-9-5-3-6-10-19)23-15-21-13-14-22(25-21)16-24-18(2)20-11-7-4-8-12-20/h3-14,17-18,23-24H,15-16H2,1-2H3
InChIKeyRZROFEZNOYJELP-UHFFFAOYSA-N
XLogP5.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1R)-N-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-1-phenylethanamine
CID 124690099
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine (CID 78022429) is 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine is CC(NCc1ccc(CNC(C)c2ccccc2)s1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is RZROFEZNOYJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2S/c1-17(19-9-5-3-6-10-19)23-15-21-13-14-22(25-21)16-24-18(2)20-11-7-4-8-12-20/h3-14,17-18,23-24H,15-16H2,1-2H3.
What are the key properties of 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine?
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 350.53 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 78022429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).