4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine

C19H22FNO2 — CID 142704633

IUPAC4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine
SMILESNC1(c2ccccc2F)CCOC(COCc2ccccc2)C1
InChIInChI=1S/C19H22FNO2/c20-18-9-5-4-8-17(18)19(21)10-11-23-16(12-19)14-22-13-15-6-2-1-3-7-15/h1-9,16H,10-14,21H2
InChIKeyVKNITBUZLVJMRI-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.38
Rot. Bonds5

About 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine

4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine (PubChem CID 142704633) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine
PubChem CID142704633
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine
SMILESNC1(c2ccccc2F)CCOC(COCc2ccccc2)C1
InChIInChI=1S/C19H22FNO2/c20-18-9-5-4-8-17(18)19(21)10-11-23-16(12-19)14-22-13-15-6-2-1-3-7-15/h1-9,16H,10-14,21H2
InChIKeyVKNITBUZLVJMRI-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine?
The IUPAC name of 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine (CID 142704633) is 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine?
The canonical SMILES for 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine is NC1(c2ccccc2F)CCOC(COCc2ccccc2)C1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine?
The InChIKey is VKNITBUZLVJMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c20-18-9-5-4-8-17(18)19(21)10-11-23-16(12-19)14-22-13-15-6-2-1-3-7-15/h1-9,16H,10-14,21H2.
What are the key properties of 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine?
4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine has a molecular weight of 315.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-amine is sourced from PubChem (CID 142704633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).