6-benzhydryloxyoxan-3-amine

C18H21NO2 — CID 68616901

IUPAC6-benzhydryloxyoxan-3-amine
SMILESNC1CCC(OC(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H21NO2/c19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,19H2
InChIKeyTWTXTTRSKWUMSK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.26
Rot. Bonds4

About 6-benzhydryloxyoxan-3-amine

6-benzhydryloxyoxan-3-amine (PubChem CID 68616901) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-benzhydryloxyoxan-3-amine.

Molecular Properties

Compound Name6-benzhydryloxyoxan-3-amine
PubChem CID68616901
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-benzhydryloxyoxan-3-amine
SMILESNC1CCC(OC(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H21NO2/c19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,19H2
InChIKeyTWTXTTRSKWUMSK-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzhydryloxyoxan-3-amine?
The IUPAC name of 6-benzhydryloxyoxan-3-amine (CID 68616901) is 6-benzhydryloxyoxan-3-amine.
What is the SMILES notation for 6-benzhydryloxyoxan-3-amine?
The canonical SMILES for 6-benzhydryloxyoxan-3-amine is NC1CCC(OC(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of 6-benzhydryloxyoxan-3-amine?
The InChIKey is TWTXTTRSKWUMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,19H2.
What are the key properties of 6-benzhydryloxyoxan-3-amine?
6-benzhydryloxyoxan-3-amine has a molecular weight of 283.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryloxyoxan-3-amine is sourced from PubChem (CID 68616901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).