[7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine

C27H24N2O2 — CID 71146892

IUPAC[7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine
SMILESNC(Oc1ccc2c(c1)Cc1cc(OC(N)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C27H24N2O2/c28-26(18-7-3-1-4-8-18)30-22-11-13-24-20(16-22)15-21-17-23(12-14-25(21)24)31-27(29)19-9-5-2-6-10-19/h1-14,16-17,26-27H,15,28-29H2
InChIKeyWHQUCVHJTKLHGJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.33
Rot. Bonds6

About [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine

[7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine (PubChem CID 71146892) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine.

Molecular Properties

Compound Name[7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine
PubChem CID71146892
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name[7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine
SMILESNC(Oc1ccc2c(c1)Cc1cc(OC(N)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C27H24N2O2/c28-26(18-7-3-1-4-8-18)30-22-11-13-24-20(16-22)15-21-17-23(12-14-25(21)24)31-27(29)19-9-5-2-6-10-19/h1-14,16-17,26-27H,15,28-29H2
InChIKeyWHQUCVHJTKLHGJ-UHFFFAOYSA-N
XLogP5.33
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline
CID 89312250
1-[[7-(2-aminopentoxy)-9H-fluoren-2-yl]oxy]pentan-2-amine
CID 71146897
4-[[7-[4-amino-2-(benzenesulfonyl)butoxy]-9H-fluoren-2-yl]oxy]-3-(benzenesulfonyl)butan-1-amine
CID 71146971
(1R)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropan-1-amine
CID 171213653
2-amino-1-(9H-fluoren-2-yl)ethanol
CID 14023206
7-(difluoromethoxy)-5H-indeno[1,2-b]pyridine
CID 177204880
ethyl (3R)-3-amino-3-(9H-fluoren-2-yl)propanoate
CID 171213682
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol
CID 171270727
(9-oxo-10H-phenanthren-2-yl) sulfamate
CID 20817602
(1S)-1-(9H-fluoren-2-yl)-3,3-difluoropropan-1-amine
CID 171313299
(R)-cyclopropyl(9H-fluoren-2-yl)methanamine;hydrochloride
CID 171213662
(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
CID 11369932

Frequently Asked Questions

What is the IUPAC name of [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine?
The IUPAC name of [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine (CID 71146892) is [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine.
What is the SMILES notation for [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine?
The canonical SMILES for [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine is NC(Oc1ccc2c(c1)Cc1cc(OC(N)c3ccccc3)ccc1-2)c1ccccc1.
What is the InChIKey of [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine?
The InChIKey is WHQUCVHJTKLHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c28-26(18-7-3-1-4-8-18)30-22-11-13-24-20(16-22)15-21-17-23(12-14-25(21)24)31-27(29)19-9-5-2-6-10-19/h1-14,16-17,26-27H,15,28-29H2.
What are the key properties of [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine?
[7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine has a molecular weight of 408.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[amino(phenyl)methoxy]-9H-fluoren-2-yl]oxy-phenylmethanamine is sourced from PubChem (CID 71146892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).