5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline

C14H23FN2O — CID 84747186

IUPAC5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline
SMILESCCOCCCNCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C14H23FN2O/c1-4-18-9-5-8-16-11-12-6-7-13(15)14(10-12)17(2)3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyRCDLPZYCRGGMJR-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.41
Rot. Bonds8

About 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline

5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline (PubChem CID 84747186) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline
PubChem CID84747186
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline
SMILESCCOCCCNCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C14H23FN2O/c1-4-18-9-5-8-16-11-12-6-7-13(15)14(10-12)17(2)3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyRCDLPZYCRGGMJR-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
CID 84749569
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]-3-ethoxypropan-1-amine
CID 84753248
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
CID 4719418
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
3-butoxy-N-[(4-chloro-3-fluorophenyl)methyl]propan-1-amine
CID 115595668
ethyl 3-[5-(butylaminomethyl)-2-fluoro-N-methylanilino]propanoate
CID 84753981
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17056988

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline (CID 84747186) is 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline is CCOCCCNCc1ccc(F)c(N(C)C)c1.
What is the InChIKey of 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline?
The InChIKey is RCDLPZYCRGGMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-18-9-5-8-16-11-12-6-7-13(15)14(10-12)17(2)3/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline?
5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline has a molecular weight of 254.35 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 84747186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).