2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol

C15H16FNO — CID 115968066

IUPAC2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
SMILESCc1ccc(F)cc1CNCc1ccccc1O
InChIInChI=1S/C15H16FNO/c1-11-6-7-14(16)8-13(11)10-17-9-12-4-2-3-5-15(12)18/h2-8,17-18H,9-10H2,1H3
InChIKeyUUYLMDMGJIKFNO-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.13
Rot. Bonds4

About 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol

2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol (PubChem CID 115968066) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
PubChem CID115968066
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
SMILESCc1ccc(F)cc1CNCc1ccccc1O
InChIInChI=1S/C15H16FNO/c1-11-6-7-14(16)8-13(11)10-17-9-12-4-2-3-5-15(12)18/h2-8,17-18H,9-10H2,1H3
InChIKeyUUYLMDMGJIKFNO-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 115967957
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
3-[(5-fluoro-2-methylphenyl)methylamino]propanenitrile
CID 107168016
2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 104857334
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
1-[(5-fluoro-2-methylphenyl)methyl]-2-phenylhydrazine
CID 169384413
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol (CID 115968066) is 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol is Cc1ccc(F)cc1CNCc1ccccc1O.
What is the InChIKey of 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol?
The InChIKey is UUYLMDMGJIKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-6-7-14(16)8-13(11)10-17-9-12-4-2-3-5-15(12)18/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol?
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol has a molecular weight of 245.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 115968066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).