1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine

C17H23NO2S — CID 115856968

IUPAC1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCCOc1ccc(C(N)CCc2ccsc2)cc1OCC
InChIInChI=1S/C17H23NO2S/c1-3-19-16-8-6-14(11-17(16)20-4-2)15(18)7-5-13-9-10-21-12-13/h6,8-12,15H,3-5,7,18H2,1-2H3
InChIKeyDKUJXWRXGYYMET-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.18
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine

1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 115856968) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID115856968
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCCOc1ccc(C(N)CCc2ccsc2)cc1OCC
InChIInChI=1S/C17H23NO2S/c1-3-19-16-8-6-14(11-17(16)20-4-2)15(18)7-5-13-9-10-21-12-13/h6,8-12,15H,3-5,7,18H2,1-2H3
InChIKeyDKUJXWRXGYYMET-UHFFFAOYSA-N
XLogP4.18
TPSA44.48 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine
CID 106755330
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine (CID 115856968) is 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine is CCOc1ccc(C(N)CCc2ccsc2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is DKUJXWRXGYYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-19-16-8-6-14(11-17(16)20-4-2)15(18)7-5-13-9-10-21-12-13/h6,8-12,15H,3-5,7,18H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine?
1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).