2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate

C22H29FN2O4 — CID 90828536

IUPAC2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate
SMILESCOc1cc(CNCCOC(=O)NC(C)(C)C)ccc1OCc1ccccc1F
InChIInChI=1S/C22H29FN2O4/c1-22(2,3)25-21(26)28-12-11-24-14-16-9-10-19(20(13-16)27-4)29-15-17-7-5-6-8-18(17)23/h5-10,13,24H,11-12,14-15H2,1-4H3,(H,25,26)
InChIKeyGEYDSXYEWUXGPV-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.03
Rot. Bonds9

About 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate

2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate (PubChem CID 90828536) has the molecular formula C22H29FN2O4 and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate
PubChem CID90828536
Molecular FormulaC22H29FN2O4
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate
SMILESCOc1cc(CNCCOC(=O)NC(C)(C)C)ccc1OCc1ccccc1F
InChIInChI=1S/C22H29FN2O4/c1-22(2,3)25-21(26)28-12-11-24-14-16-9-10-19(20(13-16)27-4)29-15-17-7-5-6-8-18(17)23/h5-10,13,24H,11-12,14-15H2,1-4H3,(H,25,26)
InChIKeyGEYDSXYEWUXGPV-UHFFFAOYSA-N
XLogP4.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzoyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]amino]ethyl N-tert-butylcarbamate
CID 90687715
N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720357
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
N-[(2-chlorophenyl)methyl]-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine;hydrochloride
CID 17289780
N',N'-diethyl-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine
CID 17214986
2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17210043
2-(2-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294152
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155047
N-tert-butyl-2-[2-ethoxy-4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17293185
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4719683
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 11948806

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate (CID 90828536) is 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate is COc1cc(CNCCOC(=O)NC(C)(C)C)ccc1OCc1ccccc1F.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate?
The InChIKey is GEYDSXYEWUXGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4/c1-22(2,3)25-21(26)28-12-11-24-14-16-9-10-19(20(13-16)27-4)29-15-17-7-5-6-8-18(17)23/h5-10,13,24H,11-12,14-15H2,1-4H3,(H,25,26).
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate?
2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate has a molecular weight of 404.48 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 90828536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).