1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol

C17H22FNOS — CID 115997187

IUPAC1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCC(CN(C)CCc1cccs1)C(O)c1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-13(17(20)15-7-3-4-8-16(15)18)12-19(2)10-9-14-6-5-11-21-14/h3-8,11,13,17,20H,9-10,12H2,1-2H3
InChIKeyNCSVSZLPRGYVSD-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.73
Rot. Bonds7

About 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol

1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (PubChem CID 115997187) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
PubChem CID115997187
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCC(CN(C)CCc1cccs1)C(O)c1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-13(17(20)15-7-3-4-8-16(15)18)12-19(2)10-9-14-6-5-11-21-14/h3-8,11,13,17,20H,9-10,12H2,1-2H3
InChIKeyNCSVSZLPRGYVSD-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997103
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997096
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475888
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997084
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (CID 115997187) is 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is CC(CN(C)CCc1cccs1)C(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The InChIKey is NCSVSZLPRGYVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-13(17(20)15-7-3-4-8-16(15)18)12-19(2)10-9-14-6-5-11-21-14/h3-8,11,13,17,20H,9-10,12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 115997187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).