N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine

C17H23NO2S — CID 61078742

IUPACN-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H23NO2S/c1-4-6-18-17(8-13-5-7-21-12-13)14-9-15(19-2)11-16(10-14)20-3/h5,7,9-12,17-18H,4,6,8H2,1-3H3
InChIKeyHOOJWQWQOBSNIU-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.05
Rot. Bonds8

About N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 61078742) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID61078742
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H23NO2S/c1-4-6-18-17(8-13-5-7-21-12-13)14-9-15(19-2)11-16(10-14)20-3/h5,7,9-12,17-18H,4,6,8H2,1-3H3
InChIKeyHOOJWQWQOBSNIU-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105176149
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 106792623
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105178677
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 61078742) is N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is HOOJWQWQOBSNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-6-18-17(8-13-5-7-21-12-13)14-9-15(19-2)11-16(10-14)20-3/h5,7,9-12,17-18H,4,6,8H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 61078742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).