5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol

C15H17FN2O — CID 63306023

IUPAC5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
SMILESCc1cccnc1CNC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H17FN2O/c1-10-4-3-7-17-14(10)9-18-11(2)13-6-5-12(16)8-15(13)19/h3-8,11,18-19H,9H2,1-2H3
InChIKeyMPWSDTDRIGARBM-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.09
Rot. Bonds4

About 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol

5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol (PubChem CID 63306023) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
PubChem CID63306023
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
SMILESCc1cccnc1CNC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H17FN2O/c1-10-4-3-7-17-14(10)9-18-11(2)13-6-5-12(16)8-15(13)19/h3-8,11,18-19H,9H2,1-2H3
InChIKeyMPWSDTDRIGARBM-UHFFFAOYSA-N
XLogP3.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 55204616
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305698
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
5-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenol
CID 63067998
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-[1-[(2-chlorophenyl)methylamino]ethyl]-5-fluorophenol
CID 63065290
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol
CID 79236061
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol (CID 63306023) is 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol is Cc1cccnc1CNC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
The InChIKey is MPWSDTDRIGARBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-4-3-7-17-14(10)9-18-11(2)13-6-5-12(16)8-15(13)19/h3-8,11,18-19H,9H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol has a molecular weight of 260.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol is sourced from PubChem (CID 63306023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).