2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline

C13H21FN2O — CID 82948357

IUPAC2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
SMILESCOCCN(Cc1ccc(N)c(F)c1)C(C)C
InChIInChI=1S/C13H21FN2O/c1-10(2)16(6-7-17-3)9-11-4-5-13(15)12(14)8-11/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyPSAAUNDKMZGJEO-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.26
Rot. Bonds6

About 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline

2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline (PubChem CID 82948357) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
PubChem CID82948357
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
SMILESCOCCN(Cc1ccc(N)c(F)c1)C(C)C
InChIInChI=1S/C13H21FN2O/c1-10(2)16(6-7-17-3)9-11-4-5-13(15)12(14)8-11/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyPSAAUNDKMZGJEO-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
N-(2-methoxyethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103438491
4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
CID 82965656
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 82952722
2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167
[3-fluoro-5-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]boronic acid
CID 82961102
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
CID 105348193
5-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880751
4-fluoro-3-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzoic acid
CID 82965404
3-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80691247
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline?
The IUPAC name of 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline (CID 82948357) is 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline?
The canonical SMILES for 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline is COCCN(Cc1ccc(N)c(F)c1)C(C)C.
What is the InChIKey of 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline?
The InChIKey is PSAAUNDKMZGJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(2)16(6-7-17-3)9-11-4-5-13(15)12(14)8-11/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline?
2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline has a molecular weight of 240.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 82948357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).