2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol

C15H16FNO — CID 43565959

IUPAC2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
SMILESOc1ccccc1CNCCc1cccc(F)c1
InChIInChI=1S/C15H16FNO/c16-14-6-3-4-12(10-14)8-9-17-11-13-5-1-2-7-15(13)18/h1-7,10,17-18H,8-9,11H2
InChIKeyJGRJHWAOIDFZSZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.86
Rot. Bonds5

About 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol

2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol (PubChem CID 43565959) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
PubChem CID43565959
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
SMILESOc1ccccc1CNCCc1cccc(F)c1
InChIInChI=1S/C15H16FNO/c16-14-6-3-4-12(10-14)8-9-17-11-13-5-1-2-7-15(13)18/h1-7,10,17-18H,8-9,11H2
InChIKeyJGRJHWAOIDFZSZ-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.86
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

1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 59906680
2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
CID 115905940
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43410931
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol (CID 43565959) is 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol is Oc1ccccc1CNCCc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol?
The InChIKey is JGRJHWAOIDFZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-14-6-3-4-12(10-14)8-9-17-11-13-5-1-2-7-15(13)18/h1-7,10,17-18H,8-9,11H2.
What are the key properties of 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol?
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol has a molecular weight of 245.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 43565959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).