1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol

C12H18FNO — CID 117301973

IUPAC1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(CC(C)F)c1
InChIInChI=1S/C12H18FNO/c1-9(13)6-10-4-3-5-11(7-10)12(15)8-14-2/h3-5,7,9,12,14-15H,6,8H2,1-2H3
InChIKeyQBZNKHPGXRQFMK-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.84
Rot. Bonds5

About 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol

1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol (PubChem CID 117301973) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol
PubChem CID117301973
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(CC(C)F)c1
InChIInChI=1S/C12H18FNO/c1-9(13)6-10-4-3-5-11(7-10)12(15)8-14-2/h3-5,7,9,12,14-15H,6,8H2,1-2H3
InChIKeyQBZNKHPGXRQFMK-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117360561
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
2-(methylamino)-1-(3-nitrosophenyl)ethanol
CID 143634279
1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
CID 70559473
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol (CID 117301973) is 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1cccc(CC(C)F)c1.
What is the InChIKey of 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is QBZNKHPGXRQFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(13)6-10-4-3-5-11(7-10)12(15)8-14-2/h3-5,7,9,12,14-15H,6,8H2,1-2H3.
What are the key properties of 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol?
1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 211.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117301973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).