4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol

C13H18FNO — CID 115722404

IUPAC4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
SMILESCC(CC1CC1)NCc1ccc(O)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9(6-10-2-3-10)15-8-11-4-5-13(16)12(14)7-11/h4-5,7,9-10,15-16H,2-3,6,8H2,1H3
InChIKeyNQBDXRSKKXWXFF-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.81
Rot. Bonds5

About 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol

4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol (PubChem CID 115722404) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
PubChem CID115722404
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
SMILESCC(CC1CC1)NCc1ccc(O)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9(6-10-2-3-10)15-8-11-4-5-13(16)12(14)7-11/h4-5,7,9-10,15-16H,2-3,6,8H2,1H3
InChIKeyNQBDXRSKKXWXFF-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
CID 115677224
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 103784673
4-[(1-cyclopropylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 63989718
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
CID 106816843
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
CID 107685692

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol (CID 115722404) is 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol is CC(CC1CC1)NCc1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol?
The InChIKey is NQBDXRSKKXWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(6-10-2-3-10)15-8-11-4-5-13(16)12(14)7-11/h4-5,7,9-10,15-16H,2-3,6,8H2,1H3.
What are the key properties of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol?
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol has a molecular weight of 223.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol is sourced from PubChem (CID 115722404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).