6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol

C10H14FNO — CID 117279608

IUPAC6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
SMILESCc1ccc(C(C)CN)c(O)c1F
InChIInChI=1S/C10H14FNO/c1-6-3-4-8(7(2)5-12)10(13)9(6)11/h3-4,7,13H,5,12H2,1-2H3
InChIKeyMOBBRFMJYFDTCJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.90
Rot. Bonds2

About 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol

6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol (PubChem CID 117279608) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol.

Molecular Properties

Compound Name6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
PubChem CID117279608
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
SMILESCc1ccc(C(C)CN)c(O)c1F
InChIInChI=1S/C10H14FNO/c1-6-3-4-8(7(2)5-12)10(13)9(6)11/h3-4,7,13H,5,12H2,1-2H3
InChIKeyMOBBRFMJYFDTCJ-UHFFFAOYSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
6-[(1R)-1-amino-2,2-difluoroethyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253422
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
6-[(1S)-1-amino-3-methylbut-3-enyl]-2-fluoro-3-methylphenol
CID 131256771
(3S)-3-amino-3-(3-fluoro-2-hydroxy-4-methylphenyl)propanenitrile
CID 130665481
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369
2-(1-aminopropan-2-yl)phenol
CID 3028046

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol?
The IUPAC name of 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol (CID 117279608) is 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol.
What is the SMILES notation for 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol?
The canonical SMILES for 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol is Cc1ccc(C(C)CN)c(O)c1F.
What is the InChIKey of 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol?
The InChIKey is MOBBRFMJYFDTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-3-4-8(7(2)5-12)10(13)9(6)11/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol?
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol has a molecular weight of 183.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol is sourced from PubChem (CID 117279608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).