N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine

C22H25NO2S — CID 4715972

IUPACN-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine
SMILESCCOc1cc(CNCCc2ccccc2)ccc1OCc1cccs1
InChIInChI=1S/C22H25NO2S/c1-2-24-22-15-19(16-23-13-12-18-7-4-3-5-8-18)10-11-21(22)25-17-20-9-6-14-26-20/h3-11,14-15,23H,2,12-13,16-17H2,1H3
InChIKeyWYEZPQFCRSKJIM-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.06
Rot. Bonds10

About N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine

N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine (PubChem CID 4715972) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine
PubChem CID4715972
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC NameN-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine
SMILESCCOc1cc(CNCCc2ccccc2)ccc1OCc1cccs1
InChIInChI=1S/C22H25NO2S/c1-2-24-22-15-19(16-23-13-12-18-7-4-3-5-8-18)10-11-21(22)25-17-20-9-6-14-26-20/h3-11,14-15,23H,2,12-13,16-17H2,1H3
InChIKeyWYEZPQFCRSKJIM-UHFFFAOYSA-N
XLogP5.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17290142
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4723249
(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
CID 8621370
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-phenylethanamine
CID 4722179
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292781
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
2-(2-fluorophenyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4723262
1-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716154
N-(1H-benzimidazol-2-ylmethyl)-1-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methanamine
CID 9113063
2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17331742

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine (CID 4715972) is N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine is CCOc1cc(CNCCc2ccccc2)ccc1OCc1cccs1.
What is the InChIKey of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine?
The InChIKey is WYEZPQFCRSKJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-2-24-22-15-19(16-23-13-12-18-7-4-3-5-8-18)10-11-21(22)25-17-20-9-6-14-26-20/h3-11,14-15,23H,2,12-13,16-17H2,1H3.
What are the key properties of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine?
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine has a molecular weight of 367.51 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 4715972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).