N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline

C16H27FN2O2 — CID 63691377

IUPACN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
SMILESCCOCCN(CC)c1ccc(CNCCOC)cc1F
InChIInChI=1S/C16H27FN2O2/c1-4-19(9-11-21-5-2)16-7-6-14(12-15(16)17)13-18-8-10-20-3/h6-7,12,18H,4-5,8-11,13H2,1-3H3
InChIKeyDBHPBMKIXYZSQW-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.42
Rot. Bonds11

About N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline

N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline (PubChem CID 63691377) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
PubChem CID63691377
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
SMILESCCOCCN(CC)c1ccc(CNCCOC)cc1F
InChIInChI=1S/C16H27FN2O2/c1-4-19(9-11-21-5-2)16-7-6-14(12-15(16)17)13-18-8-10-20-3/h6-7,12,18H,4-5,8-11,13H2,1-3H3
InChIKeyDBHPBMKIXYZSQW-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 114851380
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
1-[[4-(diethylamino)-3-fluorophenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111544467
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline
CID 63697582

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline (CID 63691377) is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline is CCOCCN(CC)c1ccc(CNCCOC)cc1F.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is DBHPBMKIXYZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2/c1-4-19(9-11-21-5-2)16-7-6-14(12-15(16)17)13-18-8-10-20-3/h6-7,12,18H,4-5,8-11,13H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline?
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 298.40 g/mol, XLogP of 2.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 63691377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).