4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol

C21H19NO2 — CID 57427913

IUPAC4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C21H19NO2/c1-24-20-12-14(10-11-19(20)23)13-22-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21-23H,13H2,1H3
InChIKeyQAHMNXDPWZVIKL-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.26
Rot. Bonds4

About 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol

4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol (PubChem CID 57427913) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol
PubChem CID57427913
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C21H19NO2/c1-24-20-12-14(10-11-19(20)23)13-22-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21-23H,13H2,1H3
InChIKeyQAHMNXDPWZVIKL-UHFFFAOYSA-N
XLogP4.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
CID 100717336
4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
CID 100717360
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
4-[(2-iodoanilino)methyl]-2-methoxyphenol
CID 28978282
2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
CID 65470463
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
CID 28646730
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 43225616

Frequently Asked Questions

What is the IUPAC name of 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol (CID 57427913) is 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol is COc1cc(CNC2c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol?
The InChIKey is QAHMNXDPWZVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-20-12-14(10-11-19(20)23)13-22-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21-23H,13H2,1H3.
What are the key properties of 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol?
4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol has a molecular weight of 317.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 57427913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).