9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate

C21H18N2O3 — CID 130987687

IUPAC9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate
SMILESNc1ccc(O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H18N2O3/c22-13-9-10-20(24)19(11-13)23-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18,24H,12,22H2,(H,23,25)
InChIKeyJQNJWSHVVGJLPK-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.34
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate

9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate (PubChem CID 130987687) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate
PubChem CID130987687
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate
SMILESNc1ccc(O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H18N2O3/c22-13-9-10-20(24)19(11-13)23-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18,24H,12,22H2,(H,23,25)
InChIKeyJQNJWSHVVGJLPK-UHFFFAOYSA-N
XLogP4.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybenzoic acid
CID 22569049
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
CID 6958000
9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
CID 130985765
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 10873832
4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(methylamino)benzoic acid
CID 142685185
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833963

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate (CID 130987687) is 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate is Nc1ccc(O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate?
The InChIKey is JQNJWSHVVGJLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c22-13-9-10-20(24)19(11-13)23-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18,24H,12,22H2,(H,23,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate?
9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate has a molecular weight of 346.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate is sourced from PubChem (CID 130987687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).