N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C17H23NO2S — CID 78963161

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOc1cc(CNCC(C)(C)c2cccs2)cc(OC)c1
InChIInChI=1S/C17H23NO2S/c1-17(2,16-6-5-7-21-16)12-18-11-13-8-14(19-3)10-15(9-13)20-4/h5-10,18H,11-12H2,1-4H3
InChIKeyCQCKOMGXQOGAFW-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.83
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 78963161) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID78963161
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOc1cc(CNCC(C)(C)c2cccs2)cc(OC)c1
InChIInChI=1S/C17H23NO2S/c1-17(2,16-6-5-7-21-16)12-18-11-13-8-14(19-3)10-15(9-13)20-4/h5-10,18H,11-12H2,1-4H3
InChIKeyCQCKOMGXQOGAFW-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963168
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114936828
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963193
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115627595
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963644
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963169

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 78963161) is N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is COc1cc(CNCC(C)(C)c2cccs2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is CQCKOMGXQOGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-17(2,16-6-5-7-21-16)12-18-11-13-8-14(19-3)10-15(9-13)20-4/h5-10,18H,11-12H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 78963161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).