[2-(2-aminopropyl)-4,5-difluorophenyl]methanol

C10H13F2NO — CID 117289921

IUPAC[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
SMILESCC(N)Cc1cc(F)c(F)cc1CO
InChIInChI=1S/C10H13F2NO/c1-6(13)2-7-3-9(11)10(12)4-8(7)5-14/h3-4,6,14H,2,5,13H2,1H3
InChIKeyRXXQKLHAUBVWHE-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.35
Rot. Bonds3

About [2-(2-aminopropyl)-4,5-difluorophenyl]methanol

[2-(2-aminopropyl)-4,5-difluorophenyl]methanol (PubChem CID 117289921) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is [2-(2-aminopropyl)-4,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
PubChem CID117289921
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
SMILESCC(N)Cc1cc(F)c(F)cc1CO
InChIInChI=1S/C10H13F2NO/c1-6(13)2-7-3-9(11)10(12)4-8(7)5-14/h3-4,6,14H,2,5,13H2,1H3
InChIKeyRXXQKLHAUBVWHE-UHFFFAOYSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine
CID 83893589
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol
CID 117281002
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
2-(3-aminobutyl)-4,5-difluorophenol
CID 141202950
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminopropyl)-4,5-difluorophenyl]methanol?
The IUPAC name of [2-(2-aminopropyl)-4,5-difluorophenyl]methanol (CID 117289921) is [2-(2-aminopropyl)-4,5-difluorophenyl]methanol.
What is the SMILES notation for [2-(2-aminopropyl)-4,5-difluorophenyl]methanol?
The canonical SMILES for [2-(2-aminopropyl)-4,5-difluorophenyl]methanol is CC(N)Cc1cc(F)c(F)cc1CO.
What is the InChIKey of [2-(2-aminopropyl)-4,5-difluorophenyl]methanol?
The InChIKey is RXXQKLHAUBVWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(13)2-7-3-9(11)10(12)4-8(7)5-14/h3-4,6,14H,2,5,13H2,1H3.
What are the key properties of [2-(2-aminopropyl)-4,5-difluorophenyl]methanol?
[2-(2-aminopropyl)-4,5-difluorophenyl]methanol has a molecular weight of 201.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminopropyl)-4,5-difluorophenyl]methanol is sourced from PubChem (CID 117289921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).