4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline

C13H18FNO2 — CID 115916579

IUPAC4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCOc1cc(F)ccc1NC(C)C1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(10-5-6-17-8-10)15-12-4-3-11(14)7-13(12)16-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyUZYRXZDGUMZNFV-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.67
Rot. Bonds4

About 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline

4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline (PubChem CID 115916579) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
PubChem CID115916579
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCOc1cc(F)ccc1NC(C)C1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(10-5-6-17-8-10)15-12-4-3-11(14)7-13(12)16-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyUZYRXZDGUMZNFV-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline 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-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 114838689
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113483482
2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929063
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
CID 115928742
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113243362
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
5-fluoro-2-[1-(oxan-4-yl)ethylamino]benzonitrile
CID 103768392
5-bromo-4-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 116737369
2-fluoro-6-[1-(oxolan-3-yl)ethylamino]benzonitrile
CID 115658095
5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline
CID 115929019

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline (CID 115916579) is 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline is COc1cc(F)ccc1NC(C)C1CCOC1.
What is the InChIKey of 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
The InChIKey is UZYRXZDGUMZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(10-5-6-17-8-10)15-12-4-3-11(14)7-13(12)16-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline?
4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline has a molecular weight of 239.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline is sourced from PubChem (CID 115916579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).