ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline

C19H30FNO — CID 144760759

IUPACethane;1-ethyl-2-fluorobenzene;2-methoxyaniline
SMILESCC.CC.CCc1ccccc1F.COc1ccccc1N
InChIInChI=1S/C8H9F.C7H9NO.2C2H6/c1-2-7-5-3-4-6-8(7)9;1-9-7-5-3-2-4-6(7)8;2*1-2/h3-6H,2H2,1H3;2-5H,8H2,1H3;2*1-2H3
InChIKeyIMTFKIOKOWLDEB-UHFFFAOYSA-N
MW307.45 g/mol
LogP5.72
Rot. Bonds2

About ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline

ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline (PubChem CID 144760759) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline.

Molecular Properties

Compound Nameethane;1-ethyl-2-fluorobenzene;2-methoxyaniline
PubChem CID144760759
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Nameethane;1-ethyl-2-fluorobenzene;2-methoxyaniline
SMILESCC.CC.CCc1ccccc1F.COc1ccccc1N
InChIInChI=1S/C8H9F.C7H9NO.2C2H6/c1-2-7-5-3-4-6-8(7)9;1-9-7-5-3-2-4-6(7)8;2*1-2/h3-6H,2H2,1H3;2-5H,8H2,1H3;2*1-2H3
InChIKeyIMTFKIOKOWLDEB-UHFFFAOYSA-N
XLogP5.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline 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-methoxyaniline;dihydrochloride
CID 69020746
azane;1-ethyl-2-fluorobenzene
CID 66657049
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
ethane;2-ethylaniline
CID 90841248
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
2-ethylaniline;propane
CID 143529464
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline
CID 15887603
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline?
The IUPAC name of ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline (CID 144760759) is ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline.
What is the SMILES notation for ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline?
The canonical SMILES for ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline is CC.CC.CCc1ccccc1F.COc1ccccc1N.
What is the InChIKey of ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline?
The InChIKey is IMTFKIOKOWLDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C7H9NO.2C2H6/c1-2-7-5-3-4-6-8(7)9;1-9-7-5-3-2-4-6(7)8;2*1-2/h3-6H,2H2,1H3;2-5H,8H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline?
ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline has a molecular weight of 307.45 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline is sourced from PubChem (CID 144760759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).