2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol

C16H17F2NO — CID 79832467

IUPAC2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cccc(CCNCc2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-11-3-2-4-12(7-11)5-6-19-10-13-8-14(17)16(20)15(18)9-13/h2-4,7-9,19-20H,5-6,10H2,1H3
InChIKeyRNNPWMRRYKSXCC-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.31
Rot. Bonds5

About 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol

2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol (PubChem CID 79832467) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
PubChem CID79832467
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cccc(CCNCc2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-11-3-2-4-12(7-11)5-6-19-10-13-8-14(17)16(20)15(18)9-13/h2-4,7-9,19-20H,5-6,10H2,1H3
InChIKeyRNNPWMRRYKSXCC-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
2,6-difluoro-4-[[2-(3-methylphenoxy)ethylamino]methyl]phenol
CID 79831957
N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 112652010
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928880
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62312995
3,3,3-trifluoro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 64554820
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol (CID 79832467) is 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol is Cc1cccc(CCNCc2cc(F)c(O)c(F)c2)c1.
What is the InChIKey of 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
The InChIKey is RNNPWMRRYKSXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-3-2-4-12(7-11)5-6-19-10-13-8-14(17)16(20)15(18)9-13/h2-4,7-9,19-20H,5-6,10H2,1H3.
What are the key properties of 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol has a molecular weight of 277.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 79832467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).