3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline

C13H17F2NO — CID 65163282

IUPAC3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline
SMILESFc1cc(F)cc(NCCCC2CCCO2)c1
InChIInChI=1S/C13H17F2NO/c14-10-7-11(15)9-12(8-10)16-5-1-3-13-4-2-6-17-13/h7-9,13,16H,1-6H2
InChIKeyPDQXYEYYMKHPES-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.34
Rot. Bonds5

About 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline

3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline (PubChem CID 65163282) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline
PubChem CID65163282
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline
SMILESFc1cc(F)cc(NCCCC2CCCO2)c1
InChIInChI=1S/C13H17F2NO/c14-10-7-11(15)9-12(8-10)16-5-1-3-13-4-2-6-17-13/h7-9,13,16H,1-6H2
InChIKeyPDQXYEYYMKHPES-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]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

2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline
CID 83079283
3-bromo-5-methoxy-N-[3-(oxolan-2-yl)propyl]aniline
CID 82867375
2,4,6-tribromo-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163342
N-[3-(oxolan-2-yl)propyl]-4-propylaniline
CID 65163877
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
3-bromo-5-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975836
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181207
2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163393
3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 78925566
3,4,5-trimethoxy-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163543
1-(3,5-difluorophenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 27600507
2-[3-(oxolan-2-yl)propylamino]-5-(trifluoromethyl)benzonitrile
CID 115911107

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline?
The IUPAC name of 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline (CID 65163282) is 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline is Fc1cc(F)cc(NCCCC2CCCO2)c1.
What is the InChIKey of 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline?
The InChIKey is PDQXYEYYMKHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-10-7-11(15)9-12(8-10)16-5-1-3-13-4-2-6-17-13/h7-9,13,16H,1-6H2.
What are the key properties of 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline?
3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline has a molecular weight of 241.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline is sourced from PubChem (CID 65163282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).