[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol

C11H16FNO — CID 131151166

IUPAC[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
SMILESCC[C@@H](N)c1cc(F)c(C)cc1CO
InChIInChI=1S/C11H16FNO/c1-3-11(13)9-5-10(12)7(2)4-8(9)6-14/h4-5,11,14H,3,6,13H2,1-2H3/t11-/m1/s1
InChIKeyRBDRUWASCMMFOA-LLVKDONJSA-N
MW197.25 g/mol
LogP2.04
Rot. Bonds3

About [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol

[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol (PubChem CID 131151166) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
PubChem CID131151166
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
SMILESCC[C@@H](N)c1cc(F)c(C)cc1CO
InChIInChI=1S/C11H16FNO/c1-3-11(13)9-5-10(12)7(2)4-8(9)6-14/h4-5,11,14H,3,6,13H2,1-2H3/t11-/m1/s1
InChIKeyRBDRUWASCMMFOA-LLVKDONJSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine
CID 131007811
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
[5-(1-aminopropyl)-2-fluorophenyl]methanol
CID 55283310
1-(2,5-difluoro-4-methylphenyl)heptan-1-amine
CID 114752602
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
CID 130674225
1-(2-fluorophenyl)propan-1-amine
CID 18439474

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol?
The IUPAC name of [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol (CID 131151166) is [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol.
What is the SMILES notation for [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol?
The canonical SMILES for [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol is CC[C@@H](N)c1cc(F)c(C)cc1CO.
What is the InChIKey of [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol?
The InChIKey is RBDRUWASCMMFOA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-11(13)9-5-10(12)7(2)4-8(9)6-14/h4-5,11,14H,3,6,13H2,1-2H3/t11-/m1/s1.
What are the key properties of [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol?
[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol has a molecular weight of 197.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol is sourced from PubChem (CID 131151166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).