2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline

C13H16Cl2FNO — CID 83079283

IUPAC2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline
SMILESFc1cc(Cl)c(NCCCC2CCCO2)c(Cl)c1
InChIInChI=1S/C13H16Cl2FNO/c14-11-7-9(16)8-12(15)13(11)17-5-1-3-10-4-2-6-18-10/h7-8,10,17H,1-6H2
InChIKeyUZALCMYADKNSEW-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.50
Rot. Bonds5

About 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline

2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline (PubChem CID 83079283) has the molecular formula C13H16Cl2FNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline
PubChem CID83079283
Molecular FormulaC13H16Cl2FNO
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline
SMILESFc1cc(Cl)c(NCCCC2CCCO2)c(Cl)c1
InChIInChI=1S/C13H16Cl2FNO/c14-11-7-9(16)8-12(15)13(11)17-5-1-3-10-4-2-6-18-10/h7-8,10,17H,1-6H2
InChIKeyUZALCMYADKNSEW-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163282
2,4,6-tribromo-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163342
3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 78925566
4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65467440
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
4-chloro-5-fluoro-1-N-[2-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 66079185
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
N-[3-(oxolan-2-yl)propyl]-4-propylaniline
CID 65163877
2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975818
3-bromo-5-methoxy-N-[3-(oxolan-2-yl)propyl]aniline
CID 82867375
2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163343
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline (CID 83079283) is 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline is Fc1cc(Cl)c(NCCCC2CCCO2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline?
The InChIKey is UZALCMYADKNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO/c14-11-7-9(16)8-12(15)13(11)17-5-1-3-10-4-2-6-18-10/h7-8,10,17H,1-6H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline?
2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline has a molecular weight of 292.18 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline is sourced from PubChem (CID 83079283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).