2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol

C13H21FN2O — CID 62640651

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
SMILESCCN(C)CCNCC(O)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-3-16(2)9-8-15-10-13(17)11-6-4-5-7-12(11)14/h4-7,13,15,17H,3,8-10H2,1-2H3
InChIKeyNFTWFNLYJKKYFU-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.40
Rot. Bonds7

About 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol

2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 62640651) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
PubChem CID62640651
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
SMILESCCN(C)CCNCC(O)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-3-16(2)9-8-15-10-13(17)11-6-4-5-7-12(11)14/h4-7,13,15,17H,3,8-10H2,1-2H3
InChIKeyNFTWFNLYJKKYFU-UHFFFAOYSA-N
XLogP1.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.40
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

5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187759
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
CID 114127447
1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol
CID 62842752
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol (CID 62640651) is 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol is CCN(C)CCNCC(O)c1ccccc1F.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is NFTWFNLYJKKYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-16(2)9-8-15-10-13(17)11-6-4-5-7-12(11)14/h4-7,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol?
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 62640651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).