4-fluoro-2-[(4-methylpentylamino)methyl]phenol

C13H20FNO — CID 103948054

IUPAC4-fluoro-2-[(4-methylpentylamino)methyl]phenol
SMILESCC(C)CCCNCc1cc(F)ccc1O
InChIInChI=1S/C13H20FNO/c1-10(2)4-3-7-15-9-11-8-12(14)5-6-13(11)16/h5-6,8,10,15-16H,3-4,7,9H2,1-2H3
InChIKeySTQYTFIXCMXKJU-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.06
Rot. Bonds6

About 4-fluoro-2-[(4-methylpentylamino)methyl]phenol

4-fluoro-2-[(4-methylpentylamino)methyl]phenol (PubChem CID 103948054) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methylpentylamino)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(4-methylpentylamino)methyl]phenol
PubChem CID103948054
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-fluoro-2-[(4-methylpentylamino)methyl]phenol
SMILESCC(C)CCCNCc1cc(F)ccc1O
InChIInChI=1S/C13H20FNO/c1-10(2)4-3-7-15-9-11-8-12(14)5-6-13(11)16/h5-6,8,10,15-16H,3-4,7,9H2,1-2H3
InChIKeySTQYTFIXCMXKJU-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylpentylamino)methyl]phenol
CID 61044240
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
4-fluoro-2-[(3-methylsulfanylpropylamino)methyl]phenol
CID 103948827
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
4-fluoro-2-[(4-methylsulfanylbutylamino)methyl]phenol
CID 103948804
N-[(2-chloro-4-fluorophenyl)methyl]-7-methyloctan-1-amine
CID 103604958
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
2-[(2,2-diethoxyethylamino)methyl]-4-fluorophenol
CID 107694482
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
4-fluoro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 91811726
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methylpentylamino)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(4-methylpentylamino)methyl]phenol (CID 103948054) is 4-fluoro-2-[(4-methylpentylamino)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(4-methylpentylamino)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(4-methylpentylamino)methyl]phenol is CC(C)CCCNCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[(4-methylpentylamino)methyl]phenol?
The InChIKey is STQYTFIXCMXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)4-3-7-15-9-11-8-12(14)5-6-13(11)16/h5-6,8,10,15-16H,3-4,7,9H2,1-2H3.
What are the key properties of 4-fluoro-2-[(4-methylpentylamino)methyl]phenol?
4-fluoro-2-[(4-methylpentylamino)methyl]phenol has a molecular weight of 225.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methylpentylamino)methyl]phenol is sourced from PubChem (CID 103948054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).