2-[(N-ethylanilino)methyl]-6-fluorophenol

C15H16FNO — CID 112616054

IUPAC2-[(N-ethylanilino)methyl]-6-fluorophenol
SMILESCCN(Cc1cccc(F)c1O)c1ccccc1
InChIInChI=1S/C15H16FNO/c1-2-17(13-8-4-3-5-9-13)11-12-7-6-10-14(16)15(12)18/h3-10,18H,2,11H2,1H3
InChIKeyOLPUOSBYPGRWFC-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.56
Rot. Bonds4

About 2-[(N-ethylanilino)methyl]-6-fluorophenol

2-[(N-ethylanilino)methyl]-6-fluorophenol (PubChem CID 112616054) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(N-ethylanilino)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(N-ethylanilino)methyl]-6-fluorophenol
PubChem CID112616054
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(N-ethylanilino)methyl]-6-fluorophenol
SMILESCCN(Cc1cccc(F)c1O)c1ccccc1
InChIInChI=1S/C15H16FNO/c1-2-17(13-8-4-3-5-9-13)11-12-7-6-10-14(16)15(12)18/h3-10,18H,2,11H2,1H3
InChIKeyOLPUOSBYPGRWFC-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.56
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-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
CID 112616167
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
CID 82974543
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
N,N-diethylaniline
CID 7061
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
CID 112616142
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
[2-chloro-4-[ethyl-[(2-fluorophenyl)methyl]amino]phenyl]methanol
CID 155811634

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethylanilino)methyl]-6-fluorophenol?
The IUPAC name of 2-[(N-ethylanilino)methyl]-6-fluorophenol (CID 112616054) is 2-[(N-ethylanilino)methyl]-6-fluorophenol.
What is the SMILES notation for 2-[(N-ethylanilino)methyl]-6-fluorophenol?
The canonical SMILES for 2-[(N-ethylanilino)methyl]-6-fluorophenol is CCN(Cc1cccc(F)c1O)c1ccccc1.
What is the InChIKey of 2-[(N-ethylanilino)methyl]-6-fluorophenol?
The InChIKey is OLPUOSBYPGRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-17(13-8-4-3-5-9-13)11-12-7-6-10-14(16)15(12)18/h3-10,18H,2,11H2,1H3.
What are the key properties of 2-[(N-ethylanilino)methyl]-6-fluorophenol?
2-[(N-ethylanilino)methyl]-6-fluorophenol has a molecular weight of 245.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethylanilino)methyl]-6-fluorophenol is sourced from PubChem (CID 112616054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).