N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine

C16H21NO3S — CID 105013677

IUPACN-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)c1cc(OC)cs1
InChIInChI=1S/C16H21NO3S/c1-5-17-16(15-9-14(20-4)10-21-15)11-6-12(18-2)8-13(7-11)19-3/h6-10,16-17H,5H2,1-4H3
InChIKeyKJZMVRRLDPWEGX-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.47
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine

N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 105013677) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID105013677
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)c1cc(OC)cs1
InChIInChI=1S/C16H21NO3S/c1-5-17-16(15-9-14(20-4)10-21-15)11-6-12(18-2)8-13(7-11)19-3/h6-10,16-17H,5H2,1-4H3
InChIKeyKJZMVRRLDPWEGX-UHFFFAOYSA-N
XLogP3.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81128007
N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 102649227
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine (CID 105013677) is N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1cc(OC)cc(OC)c1)c1cc(OC)cs1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is KJZMVRRLDPWEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-5-17-16(15-9-14(20-4)10-21-15)11-6-12(18-2)8-13(7-11)19-3/h6-10,16-17H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 307.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105013677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).