[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol

C14H19ClFNO2 — CID 86814252

IUPAC[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNCc2ccc(F)c(Cl)c2)CCOCC1
InChIInChI=1S/C14H19ClFNO2/c15-12-7-11(1-2-13(12)16)8-17-9-14(10-18)3-5-19-6-4-14/h1-2,7,17-18H,3-6,8-10H2
InChIKeyVDUFBUGAIYFXEE-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.36
Rot. Bonds5

About [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol

[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol (PubChem CID 86814252) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
PubChem CID86814252
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNCc2ccc(F)c(Cl)c2)CCOCC1
InChIInChI=1S/C14H19ClFNO2/c15-12-7-11(1-2-13(12)16)8-17-9-14(10-18)3-5-19-6-4-14/h1-2,7,17-18H,3-6,8-10H2
InChIKeyVDUFBUGAIYFXEE-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
1-[(3-chloro-4-fluorophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618757
2-[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070910
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
4-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]oxane
CID 103042052
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
CID 116930381
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol (CID 86814252) is [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol is OCC1(CNCc2ccc(F)c(Cl)c2)CCOCC1.
What is the InChIKey of [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is VDUFBUGAIYFXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c15-12-7-11(1-2-13(12)16)8-17-9-14(10-18)3-5-19-6-4-14/h1-2,7,17-18H,3-6,8-10H2.
What are the key properties of [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol?
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 287.76 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 86814252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).