[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol

C16H17F2NO — CID 107230241

IUPAC[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1ccc(CO)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(14-6-15(17)8-16(18)7-14)19-9-12-2-4-13(10-20)5-3-12/h2-8,11,19-20H,9-10H2,1H3
InChIKeyGPROCWFFKBEMJC-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.31
Rot. Bonds5

About [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol

[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol (PubChem CID 107230241) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
PubChem CID107230241
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1ccc(CO)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(14-6-15(17)8-16(18)7-14)19-9-12-2-4-13(10-20)5-3-12/h2-8,11,19-20H,9-10H2,1H3
InChIKeyGPROCWFFKBEMJC-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

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Related Compounds

[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
CID 103947395
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
4-[1-[[4-(hydroxymethyl)phenyl]methylamino]ethyl]benzonitrile
CID 110009797
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
CID 110009844
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol
CID 110009803
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol (CID 107230241) is [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol is CC(NCc1ccc(CO)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol?
The InChIKey is GPROCWFFKBEMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(14-6-15(17)8-16(18)7-14)19-9-12-2-4-13(10-20)5-3-12/h2-8,11,19-20H,9-10H2,1H3.
What are the key properties of [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol?
[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol 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 [4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).