2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol

C13H20FNO — CID 62519065

IUPAC2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-3-13(4-2,10-16)15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyBCXNWSAGVYXIBU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.47
Rot. Bonds6

About 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol

2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol (PubChem CID 62519065) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
PubChem CID62519065
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-3-13(4-2,10-16)15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyBCXNWSAGVYXIBU-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511
2-ethyl-2-[(3-fluoro-4-methylphenyl)methylamino]propane-1,3-diol
CID 103880650
N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 43434198
2-ethyl-2-[(4-fluoro-2-methylphenyl)methylamino]propane-1,3-diol
CID 107864906
2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132755
4-fluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]benzonitrile
CID 103760926
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol (CID 62519065) is 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol is CCC(CC)(CO)NCc1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is BCXNWSAGVYXIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-13(4-2,10-16)15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol?
2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 62519065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).