4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol

C18H23FN2O2 — CID 84746988

IUPAC4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol
SMILESCN(CCO)c1cc(CNCCc2ccc(O)cc2)ccc1F
InChIInChI=1S/C18H23FN2O2/c1-21(10-11-22)18-12-15(4-7-17(18)19)13-20-9-8-14-2-5-16(23)6-3-14/h2-7,12,20,22-23H,8-11,13H2,1H3
InChIKeyPEFRMZSKHRMURL-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.29
Rot. Bonds8

About 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol

4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol (PubChem CID 84746988) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol
PubChem CID84746988
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol
SMILESCN(CCO)c1cc(CNCCc2ccc(O)cc2)ccc1F
InChIInChI=1S/C18H23FN2O2/c1-21(10-11-22)18-12-15(4-7-17(18)19)13-20-9-8-14-2-5-16(23)6-3-14/h2-7,12,20,22-23H,8-11,13H2,1H3
InChIKeyPEFRMZSKHRMURL-UHFFFAOYSA-N
XLogP2.29
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
ethyl 3-[5-(butylaminomethyl)-2-fluoro-N-methylanilino]propanoate
CID 84753981
N-butyl-2-fluoro-N-methyl-5-[(prop-2-enylamino)methyl]aniline
CID 84753849
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 55146378
2-[[3-[carboxymethyl(methyl)amino]-4-fluorophenyl]methylamino]acetic acid
CID 84753712
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane
CID 142359986

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol (CID 84746988) is 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol is CN(CCO)c1cc(CNCCc2ccc(O)cc2)ccc1F.
What is the InChIKey of 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol?
The InChIKey is PEFRMZSKHRMURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-21(10-11-22)18-12-15(4-7-17(18)19)13-20-9-8-14-2-5-16(23)6-3-14/h2-7,12,20,22-23H,8-11,13H2,1H3.
What are the key properties of 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol?
4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol has a molecular weight of 318.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol is sourced from PubChem (CID 84746988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).