N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

C16H21NO2S — CID 43496041

IUPACN-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO2S/c1-4-8-17-16(12-7-9-20-11-12)14-6-5-13(18-2)10-15(14)19-3/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyDCJRDZOEIACAGZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.85
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 43496041) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID43496041
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO2S/c1-4-8-17-16(12-7-9-20-11-12)14-6-5-13(18-2)10-15(14)19-3/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyDCJRDZOEIACAGZ-UHFFFAOYSA-N
XLogP3.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43493887
N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79809112
N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 82808330
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
[(2,5-dimethoxyphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105196872
N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923325
5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (CID 43496041) is N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is DCJRDZOEIACAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-8-17-16(12-7-9-20-11-12)14-6-5-13(18-2)10-15(14)19-3/h5-7,9-11,16-17H,4,8H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 43496041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).