2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol

C15H19FN2OS — CID 115951025

IUPAC2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol
SMILESCN(C)C(CNCc1cccc(F)c1O)c1cccs1
InChIInChI=1S/C15H19FN2OS/c1-18(2)13(14-7-4-8-20-14)10-17-9-11-5-3-6-12(16)15(11)19/h3-8,13,17,19H,9-10H2,1-2H3
InChIKeyOLBVVZVKQKBOBB-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.99
Rot. Bonds6

About 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol

2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol (PubChem CID 115951025) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol
PubChem CID115951025
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol
SMILESCN(C)C(CNCc1cccc(F)c1O)c1cccs1
InChIInChI=1S/C15H19FN2OS/c1-18(2)13(14-7-4-8-20-14)10-17-9-11-5-3-6-12(16)15(11)19/h3-8,13,17,19H,9-10H2,1-2H3
InChIKeyOLBVVZVKQKBOBB-UHFFFAOYSA-N
XLogP2.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62134219
N'-(1,3-benzodioxol-4-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43583717
3-chloro-2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]phenol
CID 78959189
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
CID 43182622
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
CID 103948931
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79578963
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol (CID 115951025) is 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol is CN(C)C(CNCc1cccc(F)c1O)c1cccs1.
What is the InChIKey of 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol?
The InChIKey is OLBVVZVKQKBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-18(2)13(14-7-4-8-20-14)10-17-9-11-5-3-6-12(16)15(11)19/h3-8,13,17,19H,9-10H2,1-2H3.
What are the key properties of 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol?
2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol has a molecular weight of 294.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol is sourced from PubChem (CID 115951025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).