N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline

C13H20FNO — CID 155270742

IUPACN-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCCF)c1ccccc1
InChIInChI=1S/C13H20FNO/c1-16-12-6-11-15(10-5-9-14)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyDHRZGDXLKHXGQF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.89
Rot. Bonds8

About N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline

N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline (PubChem CID 155270742) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
PubChem CID155270742
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCCF)c1ccccc1
InChIInChI=1S/C13H20FNO/c1-16-12-6-11-15(10-5-9-14)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyDHRZGDXLKHXGQF-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(4-methoxybutyl)anilino]ethanol
CID 111544024
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine
CID 64585765
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile
CID 103179680
N-(fluoromethyl)-N-hexylaniline
CID 22637345
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-4-amine
CID 62284664
N,N-di(nonyl)aniline
CID 22637953

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline?
The IUPAC name of N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline (CID 155270742) is N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline.
What is the SMILES notation for N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline?
The canonical SMILES for N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline is COCCCN(CCCF)c1ccccc1.
What is the InChIKey of N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline?
The InChIKey is DHRZGDXLKHXGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-16-12-6-11-15(10-5-9-14)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline?
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline has a molecular weight of 225.31 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 155270742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).