3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine

C22H21NO — CID 174662912

IUPAC3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine
SMILESNCC(COc1cccc2c1Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C22H21NO/c23-14-18(16-7-2-1-3-8-16)15-24-22-12-6-11-20-19-10-5-4-9-17(19)13-21(20)22/h1-12,18H,13-15,23H2
InChIKeyZOKGFQBOFYXALO-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.38
Rot. Bonds5

About 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine

3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine (PubChem CID 174662912) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine
PubChem CID174662912
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine
SMILESNCC(COc1cccc2c1Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C22H21NO/c23-14-18(16-7-2-1-3-8-16)15-24-22-12-6-11-20-19-10-5-4-9-17(19)13-21(20)22/h1-12,18H,13-15,23H2
InChIKeyZOKGFQBOFYXALO-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine?
The IUPAC name of 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine (CID 174662912) is 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine is NCC(COc1cccc2c1Cc1ccccc1-2)c1ccccc1.
What is the InChIKey of 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine?
The InChIKey is ZOKGFQBOFYXALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c23-14-18(16-7-2-1-3-8-16)15-24-22-12-6-11-20-19-10-5-4-9-17(19)13-21(20)22/h1-12,18H,13-15,23H2.
What are the key properties of 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine?
3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine has a molecular weight of 315.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine is sourced from PubChem (CID 174662912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).