[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol

C11H16FNO2 — CID 118527436

IUPAC[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol
SMILESCc1cc(CO)cc(OC[C@H](F)CN)c1
InChIInChI=1S/C11H16FNO2/c1-8-2-9(6-14)4-11(3-8)15-7-10(12)5-13/h2-4,10,14H,5-7,13H2,1H3/t10-/m1/s1
InChIKeyJFTKOIGOSRPGAM-SNVBAGLBSA-N
MW213.25 g/mol
LogP1.16
Rot. Bonds5

About [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol

[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol (PubChem CID 118527436) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol
PubChem CID118527436
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol
SMILESCc1cc(CO)cc(OC[C@H](F)CN)c1
InChIInChI=1S/C11H16FNO2/c1-8-2-9(6-14)4-11(3-8)15-7-10(12)5-13/h2-4,10,14H,5-7,13H2,1H3/t10-/m1/s1
InChIKeyJFTKOIGOSRPGAM-SNVBAGLBSA-N
XLogP1.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(hydroxymethyl)-5-methylphenoxy]butane-2-sulfinate
CID 174770101
tert-butyl-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]azanium
CID 151476109
3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one
CID 118527560
2-fluoro-3-(4-methoxyphenoxy)propan-1-amine
CID 105452034
tert-butyl 2-[3-(hydroxymethyl)-5-methylphenoxy]acetate
CID 70899434
[3-(hydroxymethyl)-5-methylphenyl] formate
CID 89472266
4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine
CID 112500996
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 110936185
3-(3-amino-2-fluoropropoxy)-5-[3-(aminomethyl)phenyl]benzenethiol
CID 123349978
4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol
CID 64897598
ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
CID 144723100

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol?
The IUPAC name of [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol (CID 118527436) is [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol.
What is the SMILES notation for [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol?
The canonical SMILES for [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol is Cc1cc(CO)cc(OC[C@H](F)CN)c1.
What is the InChIKey of [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol?
The InChIKey is JFTKOIGOSRPGAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8-2-9(6-14)4-11(3-8)15-7-10(12)5-13/h2-4,10,14H,5-7,13H2,1H3/t10-/m1/s1.
What are the key properties of [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol?
[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol has a molecular weight of 213.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol is sourced from PubChem (CID 118527436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).