9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate

C22H20N2O3 — CID 130985765

IUPAC9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
SMILESNc1cc(CO)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C22H20N2O3/c23-15-9-14(12-25)10-16(11-15)24-22(26)27-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21,25H,12-13,23H2,(H,24,26)
InChIKeyVKWZIVUEHOIYQK-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.12
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate

9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate (PubChem CID 130985765) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
PubChem CID130985765
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
SMILESNc1cc(CO)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C22H20N2O3/c23-15-9-14(12-25)10-16(11-15)24-22(26)27-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21,25H,12-13,23H2,(H,24,26)
InChIKeyVKWZIVUEHOIYQK-UHFFFAOYSA-N
XLogP4.12
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate
CID 130987687
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(4-methoxyphenyl)methyl]benzoic acid
CID 11655926
CID 174007724
CID 174007724
CID 58624123
CID 58624123
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate (CID 130985765) is 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate is Nc1cc(CO)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate?
The InChIKey is VKWZIVUEHOIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c23-15-9-14(12-25)10-16(11-15)24-22(26)27-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21,25H,12-13,23H2,(H,24,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 4.12, 4 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-[3-amino-5-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 130985765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).