methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride

C21H27ClN2O4 — CID 75492694

IUPACmethyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride
SMILESCOC(=O)N(CCOCCOCCN)C1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C21H26N2O4.ClH/c1-25-21(24)23(11-13-27-15-14-26-12-10-22)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;/h2-9,20H,10-15,22H2,1H3;1H
InChIKeyOBGXCIXOKALNMA-UHFFFAOYSA-N
MW406.91 g/mol
LogP3.24
Rot. Bonds9

About methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride

methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride (PubChem CID 75492694) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride
PubChem CID75492694
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Namemethyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride
SMILESCOC(=O)N(CCOCCOCCN)C1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C21H26N2O4.ClH/c1-25-21(24)23(11-13-27-15-14-26-12-10-22)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;/h2-9,20H,10-15,22H2,1H3;1H
InChIKeyOBGXCIXOKALNMA-UHFFFAOYSA-N
XLogP3.24
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 67304548
9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135145
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 126673423
9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate
CID 178159554
3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl-(9H-fluoren-9-ylmethyl)carbamic acid;hydrochloride
CID 121333145
3-[[2-[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 10210593
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[2-(2-methoxyethoxy)ethyl]amino]pentanedioic acid
CID 54036337
2-aminoethyl N-(9H-fluoren-9-ylmethyl)carbamate
CID 170549781

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride?
The IUPAC name of methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride (CID 75492694) is methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride.
What is the SMILES notation for methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride?
The canonical SMILES for methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride is COC(=O)N(CCOCCOCCN)C1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride?
The InChIKey is OBGXCIXOKALNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4.ClH/c1-25-21(24)23(11-13-27-15-14-26-12-10-22)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;/h2-9,20H,10-15,22H2,1H3;1H.
What are the key properties of methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride?
methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride has a molecular weight of 406.91 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride is sourced from PubChem (CID 75492694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).