9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate

C24H22N2O2 — CID 169469017

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
SMILESNc1ccccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22N2O2/c25-23-14-6-1-8-17(23)9-7-15-26-24(27)28-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-14,22H,15-16,25H2,(H,26,27)
InChIKeyKEVFMVILXMWXQI-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.82
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate (PubChem CID 169469017) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
PubChem CID169469017
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
SMILESNc1ccccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22N2O2/c25-23-14-6-1-8-17(23)9-7-15-26-24(27)28-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-14,22H,15-16,25H2,(H,26,27)
InChIKeyKEVFMVILXMWXQI-UHFFFAOYSA-N
XLogP4.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate
CID 169469509
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567
methyl 4-amino-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169470205
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
CID 169469598

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate (CID 169469017) is 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate is Nc1ccccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate?
The InChIKey is KEVFMVILXMWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-23-14-6-1-8-17(23)9-7-15-26-24(27)28-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-14,22H,15-16,25H2,(H,26,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).