2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol

C16H21NO3S — CID 61057517

IUPAC2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(OC)c(O)c(OC)c1)c1cccs1
InChIInChI=1S/C16H21NO3S/c1-4-12(15-6-5-7-21-15)17-10-11-8-13(19-2)16(18)14(9-11)20-3/h5-9,12,17-18H,4,10H2,1-3H3
InChIKeyJYAGQODZIDSELA-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.71
Rot. Bonds7

About 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol

2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol (PubChem CID 61057517) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
PubChem CID61057517
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(OC)c(O)c(OC)c1)c1cccs1
InChIInChI=1S/C16H21NO3S/c1-4-12(15-6-5-7-21-15)17-10-11-8-13(19-2)16(18)14(9-11)20-3/h5-9,12,17-18H,4,10H2,1-3H3
InChIKeyJYAGQODZIDSELA-UHFFFAOYSA-N
XLogP3.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
2-chloro-6-methoxy-4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenol
CID 41099275
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
N-[(3-bromo-5-nitrophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103350686

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol (CID 61057517) is 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol is CCC(NCc1cc(OC)c(O)c(OC)c1)c1cccs1.
What is the InChIKey of 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
The InChIKey is JYAGQODZIDSELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-4-12(15-6-5-7-21-15)17-10-11-8-13(19-2)16(18)14(9-11)20-3/h5-9,12,17-18H,4,10H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol has a molecular weight of 307.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol is sourced from PubChem (CID 61057517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).