1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol

C13H21FN2O — CID 54964766

IUPAC1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-10(12-6-4-5-7-13(12)14)15-8-11(17)9-16(2)3/h4-7,10-11,15,17H,8-9H2,1-3H3
InChIKeyJFEDIVWMOPAISE-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.40
Rot. Bonds6

About 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol

1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol (PubChem CID 54964766) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
PubChem CID54964766
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-10(12-6-4-5-7-13(12)14)15-8-11(17)9-16(2)3/h4-7,10-11,15,17H,8-9H2,1-3H3
InChIKeyJFEDIVWMOPAISE-UHFFFAOYSA-N
XLogP1.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
N'-[1-(2-fluorophenyl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201789
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81360198

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol (CID 54964766) is 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol is CC(NCC(O)CN(C)C)c1ccccc1F.
What is the InChIKey of 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol?
The InChIKey is JFEDIVWMOPAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(12-6-4-5-7-13(12)14)15-8-11(17)9-16(2)3/h4-7,10-11,15,17H,8-9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol?
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol has a molecular weight of 240.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 54964766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).