2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol

C16H27FN2O — CID 60898398

IUPAC2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
SMILESCC(C)N(CCNCC(O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C16H27FN2O/c1-12(2)19(13(3)4)9-8-18-11-16(20)14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18,20H,8-9,11H2,1-4H3
InChIKeySQXCOGHTLWCDGM-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol

2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol (PubChem CID 60898398) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
PubChem CID60898398
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
SMILESCC(C)N(CCNCC(O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C16H27FN2O/c1-12(2)19(13(3)4)9-8-18-11-16(20)14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18,20H,8-9,11H2,1-4H3
InChIKeySQXCOGHTLWCDGM-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
1-(3-fluorophenyl)-2-(3-methylsulfinylbutylamino)ethanol
CID 113490452
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 114515612
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol (CID 60898398) is 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol is CC(C)N(CCNCC(O)c1cccc(F)c1)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol?
The InChIKey is SQXCOGHTLWCDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-12(2)19(13(3)4)9-8-18-11-16(20)14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18,20H,8-9,11H2,1-4H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol?
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol has a molecular weight of 282.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60898398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).