9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride

C23H23ClN2O3 — CID 146663768

IUPAC9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride
SMILESCN(CC(N)c1ccc(O)cc1)C(=O)OC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C23H22N2O3.ClH/c1-25(14-21(24)15-10-12-16(26)13-11-15)23(27)28-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;/h2-13,21-22,26H,14,24H2,1H3;1H
InChIKeyBWDKBZPMWONGHB-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.65
Rot. Bonds4

About 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride

9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride (PubChem CID 146663768) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride
PubChem CID146663768
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride
SMILESCN(CC(N)c1ccc(O)cc1)C(=O)OC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C23H22N2O3.ClH/c1-25(14-21(24)15-10-12-16(26)13-11-15)23(27)28-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;/h2-13,21-22,26H,14,24H2,1H3;1H
InChIKeyBWDKBZPMWONGHB-UHFFFAOYSA-N
XLogP4.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride
CID 172594673
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
9H-fluoren-9-yl propyl carbonate
CID 175604366
9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate
CID 174185671
9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 168875179
4-butan-2-ylphenol;9H-fluoren-9-yl 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate
CID 158265168
9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride
CID 175195517
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
CID 132580669
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
4-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171217740

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride (CID 146663768) is 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride is CN(CC(N)c1ccc(O)cc1)C(=O)OC1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride?
The InChIKey is BWDKBZPMWONGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3.ClH/c1-25(14-21(24)15-10-12-16(26)13-11-15)23(27)28-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;/h2-13,21-22,26H,14,24H2,1H3;1H.
What are the key properties of 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride?
9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride has a molecular weight of 410.90 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 146663768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).