N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C17H23NO2S — CID 61058131

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCOc1cc(CNC(CC)c2cccs2)ccc1OC
InChIInChI=1S/C17H23NO2S/c1-4-14(17-7-6-10-21-17)18-12-13-8-9-15(19-3)16(11-13)20-5-2/h6-11,14,18H,4-5,12H2,1-3H3
InChIKeyWLHQMTBXKPLLHK-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.40
Rot. Bonds8

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61058131) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61058131
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCOc1cc(CNC(CC)c2cccs2)ccc1OC
InChIInChI=1S/C17H23NO2S/c1-4-14(17-7-6-10-21-17)18-12-13-8-9-15(19-3)16(11-13)20-5-2/h6-11,14,18H,4-5,12H2,1-3H3
InChIKeyWLHQMTBXKPLLHK-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
3-(3-ethoxy-4-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185500
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
1-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 60707211
2-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoic acid
CID 82364722
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-3-amine;oxalic acid
CID 17365870
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 61058131) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCOc1cc(CNC(CC)c2cccs2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is WLHQMTBXKPLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-14(17-7-6-10-21-17)18-12-13-8-9-15(19-3)16(11-13)20-5-2/h6-11,14,18H,4-5,12H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61058131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).