N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C16H21NO2S — CID 61222636

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCOc1ccc(CNC(C)Cc2ccsc2)c(OC)c1
InChIInChI=1S/C16H21NO2S/c1-12(8-13-6-7-20-11-13)17-10-14-4-5-15(18-2)9-16(14)19-3/h4-7,9,11-12,17H,8,10H2,1-3H3
InChIKeyYDEUWKRKQFQRLI-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.49
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61222636) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61222636
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCOc1ccc(CNC(C)Cc2ccsc2)c(OC)c1
InChIInChI=1S/C16H21NO2S/c1-12(8-13-6-7-20-11-13)17-10-14-4-5-15(18-2)9-16(14)19-3/h4-7,9,11-12,17H,8,10H2,1-3H3
InChIKeyYDEUWKRKQFQRLI-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65323547
N-[(2-methoxy-5-nitrophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61474040
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221739
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224119
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54953234
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175
2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
CID 65151106
3-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]thiophene
CID 63017599
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 61222636) is N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine is COc1ccc(CNC(C)Cc2ccsc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is YDEUWKRKQFQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(8-13-6-7-20-11-13)17-10-14-4-5-15(18-2)9-16(14)19-3/h4-7,9,11-12,17H,8,10H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.49, 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)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61222636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).