2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol

C15H24F2N2O — CID 63075915

IUPAC2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
SMILESCCCN(CCO)c1c(F)cc(CNC(C)C)cc1F
InChIInChI=1S/C15H24F2N2O/c1-4-5-19(6-7-20)15-13(16)8-12(9-14(15)17)10-18-11(2)3/h8-9,11,18,20H,4-7,10H2,1-3H3
InChIKeyGWMLHZXDWPDCLM-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.67
Rot. Bonds8

About 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol

2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol (PubChem CID 63075915) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
PubChem CID63075915
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
SMILESCCCN(CCO)c1c(F)cc(CNC(C)C)cc1F
InChIInChI=1S/C15H24F2N2O/c1-4-5-19(6-7-20)15-13(16)8-12(9-14(15)17)10-18-11(2)3/h8-9,11,18,20H,4-7,10H2,1-3H3
InChIKeyGWMLHZXDWPDCLM-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
CID 63051923
2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol
CID 107481434
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
4-(chloromethyl)-2,6-difluoro-N,N-dipropylaniline
CID 63539614
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63051956
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
N-cyclopentyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63551153
2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
CID 114068232
N-(3,3-dimethylbutan-2-yl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 63551951
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol?
The IUPAC name of 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol (CID 63075915) is 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol.
What is the SMILES notation for 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol?
The canonical SMILES for 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol is CCCN(CCO)c1c(F)cc(CNC(C)C)cc1F.
What is the InChIKey of 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol?
The InChIKey is GWMLHZXDWPDCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-4-5-19(6-7-20)15-13(16)8-12(9-14(15)17)10-18-11(2)3/h8-9,11,18,20H,4-7,10H2,1-3H3.
What are the key properties of 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol?
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol has a molecular weight of 286.37 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol is sourced from PubChem (CID 63075915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).