1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol

C13H20FNO — CID 62980625

IUPAC1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCC(c1ccccc1F)N(C)CC(C)(C)O
InChIInChI=1S/C13H20FNO/c1-10(15(4)9-13(2,3)16)11-7-5-6-8-12(11)14/h5-8,10,16H,9H2,1-4H3
InChIKeyLAMWFUIBMIFESY-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.59
Rot. Bonds4

About 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol

1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (PubChem CID 62980625) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
PubChem CID62980625
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCC(c1ccccc1F)N(C)CC(C)(C)O
InChIInChI=1S/C13H20FNO/c1-10(15(4)9-13(2,3)16)11-7-5-6-8-12(11)14/h5-8,10,16H,9H2,1-4H3
InChIKeyLAMWFUIBMIFESY-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 110932600
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985957
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62984584
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (CID 62980625) is 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is CC(c1ccccc1F)N(C)CC(C)(C)O.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is LAMWFUIBMIFESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(15(4)9-13(2,3)16)11-7-5-6-8-12(11)14/h5-8,10,16H,9H2,1-4H3.
What are the key properties of 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 62980625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).