1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol

C15H22FNO2 — CID 61432196

IUPAC1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)CC2CCCCO2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(18)12-6-7-15(14(16)9-12)17(2)10-13-5-3-4-8-19-13/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyNPRCMMCBHBQRSC-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds4

About 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol

1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol (PubChem CID 61432196) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
PubChem CID61432196
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)CC2CCCCO2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(18)12-6-7-15(14(16)9-12)17(2)10-13-5-3-4-8-19-13/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyNPRCMMCBHBQRSC-UHFFFAOYSA-N
XLogP2.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol 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

4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432233
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496639
1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 79318550
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol (CID 61432196) is 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol is CC(O)c1ccc(N(C)CC2CCCCO2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol?
The InChIKey is NPRCMMCBHBQRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(18)12-6-7-15(14(16)9-12)17(2)10-13-5-3-4-8-19-13/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol?
1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 61432196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).