2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline

C14H21FN2O — CID 61433507

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
SMILESCCN(Cc1cc(F)ccc1N)CC1CCCO1
InChIInChI=1S/C14H21FN2O/c1-2-17(10-13-4-3-7-18-13)9-11-8-12(15)5-6-14(11)16/h5-6,8,13H,2-4,7,9-10,16H2,1H3
InChIKeyGZQCWYIMLZIYSF-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.41
Rot. Bonds5

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline (PubChem CID 61433507) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
PubChem CID61433507
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
SMILESCCN(Cc1cc(F)ccc1N)CC1CCCO1
InChIInChI=1S/C14H21FN2O/c1-2-17(10-13-4-3-7-18-13)9-11-8-12(15)5-6-14(11)16/h5-6,8,13H,2-4,7,9-10,16H2,1H3
InChIKeyGZQCWYIMLZIYSF-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.41
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

N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
4-fluoro-2-(oxolan-2-ylmethyl)aniline
CID 105449109
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
N-[(2,5-difluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 43818450
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 91769778

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline (CID 61433507) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline is CCN(Cc1cc(F)ccc1N)CC1CCCO1.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline?
The InChIKey is GZQCWYIMLZIYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-17(10-13-4-3-7-18-13)9-11-8-12(15)5-6-14(11)16/h5-6,8,13H,2-4,7,9-10,16H2,1H3.
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline has a molecular weight of 252.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline is sourced from PubChem (CID 61433507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).