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

C17H23NO2S — CID 61057204

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCOc1ccc(CNC(CC)c2cccs2)cc1OC
InChIInChI=1S/C17H23NO2S/c1-4-14(17-7-6-10-21-17)18-12-13-8-9-15(20-5-2)16(11-13)19-3/h6-11,14,18H,4-5,12H2,1-3H3
InChIKeyTYXWRDHDKYARML-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.40
Rot. Bonds8

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

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61057204) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61057204
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCOc1ccc(CNC(CC)c2cccs2)cc1OC
InChIInChI=1S/C17H23NO2S/c1-4-14(17-7-6-10-21-17)18-12-13-8-9-15(20-5-2)16(11-13)19-3/h6-11,14,18H,4-5,12H2,1-3H3
InChIKeyTYXWRDHDKYARML-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-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185525
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
1-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 60707211
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 61057204) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCOc1ccc(CNC(CC)c2cccs2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is TYXWRDHDKYARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-14(17-7-6-10-21-17)18-12-13-8-9-15(20-5-2)16(11-13)19-3/h6-11,14,18H,4-5,12H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(4-ethoxy-3-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-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61057204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).