3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol

C13H21FN2O — CID 113484764

IUPAC3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-9(8-17)10(2)16-13(7-15)11-3-5-12(14)6-4-11/h3-6,9-10,13,16-17H,7-8,15H2,1-2H3
InChIKeyWSOJDBZUWKMLLR-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.43
Rot. Bonds6

About 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol

3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol (PubChem CID 113484764) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
PubChem CID113484764
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-9(8-17)10(2)16-13(7-15)11-3-5-12(14)6-4-11/h3-6,9-10,13,16-17H,7-8,15H2,1-2H3
InChIKeyWSOJDBZUWKMLLR-UHFFFAOYSA-N
XLogP1.43
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
CID 113484777
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949684
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol
CID 148832712
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-1-ol
CID 113247027
2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
CID 103388771

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol (CID 113484764) is 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol is CC(CO)C(C)NC(CN)c1ccc(F)cc1.
What is the InChIKey of 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol?
The InChIKey is WSOJDBZUWKMLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-9(8-17)10(2)16-13(7-15)11-3-5-12(14)6-4-11/h3-6,9-10,13,16-17H,7-8,15H2,1-2H3.
What are the key properties of 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol?
3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 113484764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).