4-fluoro-2-[[methyl(propyl)amino]methyl]phenol

C11H16FNO — CID 103947518

IUPAC4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
SMILESCCCN(C)Cc1cc(F)ccc1O
InChIInChI=1S/C11H16FNO/c1-3-6-13(2)8-9-7-10(12)4-5-11(9)14/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyFBWGOMSMTPUWJS-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.37
Rot. Bonds4

About 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol

4-fluoro-2-[[methyl(propyl)amino]methyl]phenol (PubChem CID 103947518) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
PubChem CID103947518
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
SMILESCCCN(C)Cc1cc(F)ccc1O
InChIInChI=1S/C11H16FNO/c1-3-6-13(2)8-9-7-10(12)4-5-11(9)14/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyFBWGOMSMTPUWJS-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
2-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 103947530
3-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]propanoic acid
CID 107701775
2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
CID 15906156
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
CID 56720245
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
2-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
3-[(2-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 102616813

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol (CID 103947518) is 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol is CCCN(C)Cc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol?
The InChIKey is FBWGOMSMTPUWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-6-13(2)8-9-7-10(12)4-5-11(9)14/h4-5,7,14H,3,6,8H2,1-2H3.
What are the key properties of 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol?
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol has a molecular weight of 197.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[methyl(propyl)amino]methyl]phenol is sourced from PubChem (CID 103947518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).